*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
   &GeometryIndex 1
   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "ProgCAS"
   &Status [&Type "String"] "NORMAL TERMINATION"
$End
$Geometry
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 1
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(1,4), &Units "Bohr"] 
              C      0.000000000000    0.000000000000    0.000000000000
$End
$CAS_SCF_Energies
   &GeometryIndex 1
   &finalEnergy [&Type "Double"]      -3.7651371705360205e+01  "Final GS or SA energy"
   &numOfElectrons [&Type "Integer"] 6
   &numOfActiveEl [&Type "Integer"] 2 "Number of active electrons"
   &numOfActiveOrbs [&Type "Integer"] 3 "Number of active orbitals"
   &numOfFCElectrons [&Type "Integer"] 0
   &Method [&Type "String"] "CASSCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (9,1)] "Total energy of each state"
                                                         0

0                                     -3.7687064808777201e+01
1                                     -3.7687064808777194e+01
2                                     -3.7687064808777173e+01
3                                     -3.7629955843305204e+01
4                                     -3.7629955843305197e+01
5                                     -3.7629955843305190e+01
6                                     -3.7629955843305183e+01
7                                     -3.7629955843305147e+01
8                                     -3.7544292395097209e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (9,1)] "Multiplicity of each state"
                                                         0

0                                                        3
1                                                        3
2                                                        3
3                                                        1
4                                                        1
5                                                        1
6                                                        1
7                                                        1
8                                                        1
   &RelCorr [&Type "String"] "None" "Relativistic correction (SOC and/or SSC)"
   &NBlocks [&Type "Integer"] 2 "Number of multiplicity blocks"
   &NRoots [&Type "ArrayOfIntegers", &Dim (2,1)] "Number of roots in each block"
                                                         0

0                                                        3
1                                                        6
   &NTotalRoots [&Type "Integer"] 9 "Total number of roots"
   &Block [&Type "ArrayOfIntegers", &Dim (9,1)] "Block index of each state"
                                                         0

0                                                        0
1                                                        0
2                                                        0
3                                                        1
4                                                        1
5                                                        1
6                                                        1
7                                                        1
8                                                        1
   &Root [&Type "ArrayOfIntegers", &Dim (9,1)] "Root index within the block"
                                                         0

0                                                        0
1                                                        1
2                                                        2
3                                                        0
4                                                        1
5                                                        2
6                                                        3
7                                                        4
8                                                        5
$End
$Mulliken_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 1
   &ATNO [&Type "ArrayOfIntegers", &Dim (1,1)] 
                                                         0

0                                                        6
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (1,1)] 
                                                         0

0                                      0.0000000000000000e+00
   &Method [&Type "String"] "CASSCF/ALL STATES AVERAGE"
   &Level [&Type "String"] "Unrelaxed density"
   &Mult [&Type "Integer"] -1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$Loewdin_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 1
   &ATNO [&Type "ArrayOfIntegers", &Dim (1,1)] 
                                                         0

0                                                        6
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (1,1)] 
                                                         0

0                                      0.0000000000000000e+00
   &Method [&Type "String"] "CASSCF/ALL STATES AVERAGE"
   &Level [&Type "String"] "Unrelaxed density"
   &Mult [&Type "Integer"] -1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$Mayer_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 1 "Total number of atoms"
   &NBondOrdersPrint [&Type "Integer"] 0 "The number of bond orders larger than threshold"
   &bondThresh [&Type "Double"]       1.0000000000000001e-01  "The threshold for printing"
   &ATNO [&Type "ArrayOfIntegers", &Dim (1,1)] "Atomic number of the elements"
                                                         0

0                                                        6
   &NA [&Type "ArrayOfDoubles", &Dim (1,1)] "Mulliken gross atomic population"
                                                         0

0                                      6.0000000000001554e+00
   &ZA [&Type "ArrayOfDoubles", &Dim (1,1)] "Total nuclear charge"
                                                         0

0                                      6.0000000000000000e+00
   &QA [&Type "ArrayOfDoubles", &Dim (1,1)] "Mulliken gross atomic charge"
                                                         0

0                                      0.0000000000000000e+00
   &VA [&Type "ArrayOfDoubles", &Dim (1,1)] "Mayer's total valence"
                                                         0

0                                      2.6666666666667851e+00
   &BVA [&Type "ArrayOfDoubles", &Dim (1,1)] "Mayer's bonded valence"
                                                         0

0                                      0.0000000000000000e+00
   &FA [&Type "ArrayOfDoubles", &Dim (1,1)] "Mayer's free valence"
                                                         0

0                                      2.6666666666667851e+00
   &Method [&Type "String"] "CASSCF/ALL STATES AVERAGE"
   &Level [&Type "String"] "Unrelaxed density"
   &Mult [&Type "Integer"] -1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$CASSCF_Absorption_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 2
   &RelCorrection [&Type "Integer"] 1 "Type of relativistic treatment in QDPT. 0->Unknow, 1->None, 2->SOC, 3->SSC, 4->SOC/SSC"
   &DensType [&Type "Integer"] 3 "Type of density (electron/spin ...). 0->Unknow, 1->Electronic, 2->Spin, 3->Trans/Electronic, 4->Tran/Spin"
   &DeriType [&Type "Integer"] 0 "Type of derivative (w.r.t. to what perturbation). 0->Unknown, 1->No Derivative, 2->Electric/Dipole, 3->Electric/Quad, 4->Magnetic/Dipole, 5->Magnetic/Quad"
   &DensLevel [&Type "Integer"] 0 "// Source of density: relaxed, unrelaxed, ... 0->Unknown, 1->Linearized, 2->Unrelaxed, 3->Relaxed"
   &Density_name [&Type "String"] "Tdens-CAS"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 2
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (2,11)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      0.0000000000000000e+00         4.6783831498802014e-09         2.1374905987031158e+15         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
1                                      0.0000000000000000e+00         6.2378441998402683e-09         1.6031179490273368e+15         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
                                                         8                           9                          10

0                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
1                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (2,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        2                           0                           1                           0
1                                                        2                           0                           0                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (2,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      3.0000000000000000e+00         3.0000000000000000e+00
1                                      3.0000000000000000e+00         3.0000000000000000e+00
   &Temperature [&Type "Double"]       3.0000000000000000e+02
$End
$CASSCF_ECD_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 2
   &RelCorrection [&Type "Integer"] 1 "Type of relativistic treatment in QDPT. 0->Unknow, 1->None, 2->SOC, 3->SSC, 4->SOC/SSC"
   &DensType [&Type "Integer"] 3 "Type of density (electron/spin ...). 0->Unknow, 1->Electronic, 2->Spin, 3->Trans/Electronic, 4->Tran/Spin"
   &DeriType [&Type "Integer"] 0 "Type of derivative (w.r.t. to what perturbation). 0->Unknown, 1->No Derivative, 2->Electric/Dipole, 3->Electric/Quad, 4->Magnetic/Dipole, 5->Magnetic/Quad"
   &DensLevel [&Type "Integer"] 0 "// Source of density: relaxed, unrelaxed, ... 0->Unknown, 1->Linearized, 2->Unrelaxed, 3->Relaxed"
   &Density_name [&Type "String"] "Tdens-CAS"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 2
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (2,10)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      0.0000000000000000e+00         4.6783831498802014e-09         2.1374905987031158e+15         0.0000000000000000e+00        -2.1969276667122278e-01         0.0000000000000000e+00         1.5878512928017163e-01         0.0000000000000000e+00
1                                      0.0000000000000000e+00         6.2378441998402683e-09         1.6031179490273368e+15         0.0000000000000000e+00        -4.1448412618317254e-01         0.0000000000000000e+00        -2.5184960675807955e-01         0.0000000000000000e+00
                                                         8                           9

0                                     -4.2014565449594166e-01         0.0000000000000000e+00
1                                      1.2155116090754836e-01         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (2,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        2                           0                           1                           0
1                                                        2                           0                           0                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (2,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      3.0000000000000000e+00         3.0000000000000000e+00
1                                      3.0000000000000000e+00         3.0000000000000000e+00
   &Temperature [&Type "Double"]       3.0000000000000000e+02
$End
$CASSCF_Absorption_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 2
   &RelCorrection [&Type "Integer"] 2 "Type of relativistic treatment in QDPT. 0->Unknow, 1->None, 2->SOC, 3->SSC, 4->SOC/SSC"
   &DensType [&Type "Integer"] 3 "Type of density (electron/spin ...). 0->Unknow, 1->Electronic, 2->Spin, 3->Trans/Electronic, 4->Tran/Spin"
   &DeriType [&Type "Integer"] 0 "Type of derivative (w.r.t. to what perturbation). 0->Unknown, 1->No Derivative, 2->Electric/Dipole, 3->Electric/Quad, 4->Magnetic/Dipole, 5->Magnetic/Quad"
   &DensLevel [&Type "Integer"] 0 "// Source of density: relaxed, unrelaxed, ... 0->Unknown, 1->Linearized, 2->Unrelaxed, 3->Relaxed"
   &Density_name [&Type "String"] "Tdens-CASQDSOC"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 39
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (39,11)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      0.0000000000000000e+00         1.5594610499600671e-09         6.4124717961093470e+15         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
1                                      0.0000000000000000e+00         4.6783831498802014e-09         2.1374905987031158e+15         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
2                                      0.0000000000000000e+00         6.2378441998402683e-09         1.6031179490273368e+15         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
3                                      1.8841376100709635e-03         1.5196596267156243e+01         6.5804209207114181e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
4                                      1.8841376102643121e-03         1.5196596268715705e+01         6.5804209200361418e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
5                                      1.8841376108443577e-03         1.5196596273394087e+01         6.5804209180103114e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
6                                      3.7492422302482491e-03         3.0239681102013126e+01         3.3069131801572721e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
7                                      3.7492422304415975e-03         3.0239681103572586e+01         3.3069131799867348e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
8                                      3.7492422304415975e-03         3.0239681103572586e+01         3.3069131799867348e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
9                                      3.7492422306349463e-03         3.0239681105132050e+01         3.3069131798161968e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
10                                     3.7492422306349463e-03         3.0239681105132050e+01         3.3069131798161968e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
11                                     3.7492422308282947e-03         3.0239681106691510e+01         3.3069131796456594e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
12                                     3.7492422312149919e-03         3.0239681109810430e+01         3.3069131793045840e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
13                                     3.7492422314083403e-03         3.0239681111369894e+01         3.3069131791340467e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
14                                     3.7492422316016886e-03         3.0239681112929354e+01         3.3069131789635093e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
15                                     3.7492422317950370e-03         3.0239681114488814e+01         3.3069131787929713e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
16                                     5.6333798405125615e-03         4.5436277370728831e+01         2.2008845307477249e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
17                                     5.6333798407059094e-03         4.5436277372288295e+01         2.2008845306721862e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
18                                     5.6333798408992582e-03         4.5436277373847751e+01         2.2008845305966475e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
19                                     5.6333798414793038e-03         4.5436277378526135e+01         2.2008845303700317e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
20                                     5.6333798418660005e-03         4.5436277381645056e+01         2.2008845302189546e+05         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
21                                     1.5558953849081685e+00         1.2549143901166841e+04         7.9686710733073846e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
22                                     1.5558953849083619e+00         1.2549143901168401e+04         7.9686710733063944e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
23                                     1.5558953849089419e+00         1.2549143901173080e+04         7.9686710733034238e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
24                                     1.5558953849091353e+00         1.2549143901174639e+04         7.9686710733024336e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
25                                     1.5558953849091353e+00         1.2549143901174639e+04         7.9686710733024336e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
26                                     1.5558953849093287e+00         1.2549143901176198e+04         7.9686710733014434e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
27                                     1.5558953849093287e+00         1.2549143901176198e+04         7.9686710733014434e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
28                                     1.5558953849095221e+00         1.2549143901177758e+04         7.9686710733004531e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
29                                     1.5558953849104888e+00         1.2549143901185555e+04         7.9686710732955009e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
30                                     1.5558953849106820e+00         1.2549143901187115e+04         7.9686710732945107e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
31                                     1.5577795225184328e+00         1.2564340497435558e+04         7.9590329488770601e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
32                                     1.5577795225192064e+00         1.2564340497441795e+04         7.9590329488731084e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
33                                     1.5577795225193996e+00         1.2564340497443354e+04         7.9590329488721204e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
34                                     1.5577795225195930e+00         1.2564340497444915e+04         7.9590329488711336e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
35                                     1.5577795225207531e+00         1.2564340497454270e+04         7.9590329488652060e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
36                                     3.8869190252003283e+00         3.1350119456971712e+04         3.1897805090424225e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
37                                     3.8869190252005219e+00         3.1350119456973272e+04         3.1897805090422639e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
38                                     3.8888031628105928e+00         3.1365316053240429e+04         3.1882350501508415e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
                                                         8                           9                          10

0                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
1                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
2                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
3                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
4                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
5                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
6                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
7                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
8                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
9                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
10                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
11                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
12                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
13                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
14                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
15                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
16                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
17                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
18                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
19                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
20                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
21                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
22                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
23                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
24                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
25                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
26                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
27                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
28                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
29                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
30                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
31                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
32                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
33                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
34                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
35                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
36                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
37                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
38                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (39,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        1                          -1                           2                          -1
1                                                        2                          -1                           3                          -1
2                                                        1                          -1                           3                          -1
3                                                        0                          -1                           1                          -1
4                                                        0                          -1                           2                          -1
5                                                        0                          -1                           3                          -1
6                                                        2                          -1                           4                          -1
7                                                        1                          -1                           4                          -1
8                                                        2                          -1                           5                          -1
9                                                        2                          -1                           6                          -1
10                                                       1                          -1                           5                          -1
11                                                       1                          -1                           6                          -1
12                                                       2                          -1                           7                          -1
13                                                       1                          -1                           7                          -1
14                                                       2                          -1                           8                          -1
15                                                       1                          -1                           8                          -1
16                                                       0                          -1                           4                          -1
17                                                       0                          -1                           5                          -1
18                                                       0                          -1                           6                          -1
19                                                       0                          -1                           7                          -1
20                                                       0                          -1                           8                          -1
21                                                       2                          -1                           9                          -1
22                                                       1                          -1                           9                          -1
23                                                       2                          -1                          10                          -1
24                                                       2                          -1                          11                          -1
25                                                       1                          -1                          10                          -1
26                                                       1                          -1                          11                          -1
27                                                       2                          -1                          12                          -1
28                                                       1                          -1                          12                          -1
29                                                       2                          -1                          13                          -1
30                                                       1                          -1                          13                          -1
31                                                       0                          -1                           9                          -1
32                                                       0                          -1                          10                          -1
33                                                       0                          -1                          11                          -1
34                                                       0                          -1                          12                          -1
35                                                       0                          -1                          13                          -1
36                                                       2                          -1                          14                          -1
37                                                       1                          -1                          14                          -1
38                                                       0                          -1                          14                          -1
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (39,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      3.0000000000000013e+00         3.0000000000000009e+00
1                                      3.0000000000000009e+00         3.0000000000000009e+00
2                                      3.0000000000000013e+00         3.0000000000000009e+00
3                                      2.9999962729361345e+00         3.0000000000000013e+00
4                                      2.9999962729361345e+00         3.0000000000000009e+00
5                                      2.9999962729361345e+00         3.0000000000000009e+00
6                                      3.0000000000000009e+00         2.9999941511025519e+00
7                                      3.0000000000000013e+00         2.9999941511025519e+00
8                                      3.0000000000000009e+00         2.9999941511025514e+00
9                                      3.0000000000000009e+00         2.9999941511025487e+00
10                                     3.0000000000000013e+00         2.9999941511025514e+00
11                                     3.0000000000000013e+00         2.9999941511025487e+00
12                                     3.0000000000000009e+00         2.9999941511025487e+00
13                                     3.0000000000000013e+00         2.9999941511025487e+00
14                                     3.0000000000000009e+00         2.9999941511025487e+00
15                                     3.0000000000000013e+00         2.9999941511025487e+00
16                                     2.9999962729361345e+00         2.9999941511025519e+00
17                                     2.9999962729361345e+00         2.9999941511025514e+00
18                                     2.9999962729361345e+00         2.9999941511025487e+00
19                                     2.9999962729361345e+00         2.9999941511025487e+00
20                                     2.9999962729361345e+00         2.9999941511025487e+00
21                                     3.0000000000000009e+00         1.0000058488974515e+00
22                                     3.0000000000000013e+00         1.0000058488974515e+00
23                                     3.0000000000000009e+00         1.0000058488974517e+00
24                                     3.0000000000000009e+00         1.0000058488974515e+00
25                                     3.0000000000000013e+00         1.0000058488974517e+00
26                                     3.0000000000000013e+00         1.0000058488974515e+00
27                                     3.0000000000000009e+00         1.0000058488974513e+00
28                                     3.0000000000000013e+00         1.0000058488974513e+00
29                                     3.0000000000000009e+00         1.0000058488974513e+00
30                                     3.0000000000000013e+00         1.0000058488974513e+00
31                                     2.9999962729361345e+00         1.0000058488974515e+00
32                                     2.9999962729361345e+00         1.0000058488974517e+00
33                                     2.9999962729361345e+00         1.0000058488974515e+00
34                                     2.9999962729361345e+00         1.0000058488974513e+00
35                                     2.9999962729361345e+00         1.0000058488974513e+00
36                                     3.0000000000000009e+00         1.0000037270638664e+00
37                                     3.0000000000000013e+00         1.0000037270638664e+00
38                                     2.9999962729361345e+00         1.0000037270638664e+00
   &Temperature [&Type "Double"]       3.0000000000000000e+02
$End
$CASSCF_ECD_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 2
   &RelCorrection [&Type "Integer"] 2 "Type of relativistic treatment in QDPT. 0->Unknow, 1->None, 2->SOC, 3->SSC, 4->SOC/SSC"
   &DensType [&Type "Integer"] 3 "Type of density (electron/spin ...). 0->Unknow, 1->Electronic, 2->Spin, 3->Trans/Electronic, 4->Tran/Spin"
   &DeriType [&Type "Integer"] 0 "Type of derivative (w.r.t. to what perturbation). 0->Unknown, 1->No Derivative, 2->Electric/Dipole, 3->Electric/Quad, 4->Magnetic/Dipole, 5->Magnetic/Quad"
   &DensLevel [&Type "Integer"] 0 "// Source of density: relaxed, unrelaxed, ... 0->Unknown, 1->Linearized, 2->Unrelaxed, 3->Relaxed"
   &Density_name [&Type "String"] "Tdens-CASQDSOC"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 39
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (39,10)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      0.0000000000000000e+00         1.5594610499600671e-09         6.4124717961093470e+15         0.0000000000000000e+00         1.4973238202686151e-01        -5.4747901225025285e-02         8.6833302850186339e-02        -2.2921206907332466e-02
1                                      0.0000000000000000e+00         4.6783831498802014e-09         2.1374905987031158e+15         0.0000000000000000e+00        -1.1291819133648157e-01        -1.1271850489667090e-01         2.1156561556527162e-02         1.0949008643167617e-01
2                                      0.0000000000000000e+00         6.2378441998402683e-09         1.6031179490273368e+15         0.0000000000000000e+00         1.6713701121671445e-02         4.4968081414274490e-02        -1.5454660749258831e-01        -1.0622050643827878e-01
3                                      1.8841376100709635e-03         1.5196596267156243e+01         6.5804209207114181e+05         0.0000000000000000e+00        -2.3960410263352241e-01        -7.3252752305657393e-02         1.3996697653786105e-01         1.1509063979999089e-01
4                                      1.8841376102643121e-03         1.5196596268715705e+01         6.5804209200361418e+05         0.0000000000000000e+00        -6.2969546268807727e-02        -9.3275352465210265e-02         3.0569240791601915e-01        -2.5746710406561419e-02
5                                      1.8841376108443577e-03         1.5196596273394087e+01         6.5804209180103114e+05         0.0000000000000000e+00         2.4388485314440211e-01         1.7817123120775058e-01         1.8226162984279043e-01         8.0620736305119831e-02
6                                      3.7492422302482491e-03         3.0239681102013126e+01         3.3069131801572721e+05         0.0000000000000000e+00        -9.4541929089564991e-02         1.0945340455030925e-01         2.0065265381175947e-02         3.7611589164234543e-02
7                                      3.7492422304415975e-03         3.0239681103572586e+01         3.3069131799867348e+05         0.0000000000000000e+00        -5.7443780422990899e-02        -3.1156656921040703e-03        -2.8932488372873311e-02         4.5385777250816599e-02
8                                      3.7492422304415975e-03         3.0239681103572586e+01         3.3069131799867348e+05         0.0000000000000000e+00        -4.6592360725105308e-02        -6.0988131394665052e-02         2.2462128747235829e-01        -2.6052749476392621e-03
9                                      3.7492422306349463e-03         3.0239681105132050e+01         3.3069131798161968e+05         0.0000000000000000e+00        -1.8653209702024787e-01        -1.6801107015926665e-02        -3.8069753468626420e-02        -5.6679849675222230e-02
10                                     3.7492422306349463e-03         3.0239681105132050e+01         3.3069131798161968e+05         0.0000000000000000e+00        -2.4912845335827313e-02        -1.1004581396228470e-02         9.8501481920332937e-02        -1.0157027531465504e-01
11                                     3.7492422308282947e-03         3.0239681106691510e+01         3.3069131796456594e+05         0.0000000000000000e+00        -2.4855290369894530e-02        -7.2198188398086907e-03         1.5392250684944553e-01        -5.2828875041049167e-03
12                                     3.7492422312149919e-03         3.0239681109810430e+01         3.3069131793045840e+05         0.0000000000000000e+00        -2.1854714162641412e-02         2.0948145873062877e-02        -1.8096530477836180e-02         6.0453592311589255e-02
13                                     3.7492422314083403e-03         3.0239681111369894e+01         3.3069131791340467e+05         0.0000000000000000e+00         2.0018157261669597e-01         4.2444262277251080e-02         3.7348716841451940e-02        -1.1229153541623479e-01
14                                     3.7492422316016886e-03         3.0239681112929354e+01         3.3069131789635093e+05         0.0000000000000000e+00        -3.5783825588596677e-02         9.6805225785639472e-04         1.0294100851290099e-01        -5.2383267269638739e-02
15                                     3.7492422317950370e-03         3.0239681114488814e+01         3.3069131787929713e+05         0.0000000000000000e+00         1.5165999136556130e-01        -2.7399503013104304e-02        -1.5016752287444458e-02         7.5752909131529614e-02
16                                     5.6333798405125615e-03         4.5436277370728831e+01         2.2008845307477249e+05         0.0000000000000000e+00        -8.9485545709533376e-12         0.0000000000000000e+00         4.2910844148813521e-12         4.8649478542883706e-12
17                                     5.6333798407059094e-03         4.5436277372288295e+01         2.2008845306721862e+05         0.0000000000000000e+00        -1.5505486651579137e-11        -7.5673239376128354e-12         2.2721954526239152e-12        -3.7503801062974129e-12
18                                     5.6333798408992582e-03         4.5436277373847751e+01         2.2008845305966475e+05         0.0000000000000000e+00        -2.0626532599987701e-11        -2.7300808098582041e-12        -8.8861860578215435e-12        -7.5735255740394525e-12
19                                     5.6333798414793038e-03         4.5436277378526135e+01         2.2008845303700317e+05         0.0000000000000000e+00         1.2801422248631678e-12        -5.7713035739315188e-12         1.2865083998114812e-11        -5.0841704977988567e-12
20                                     5.6333798418660005e-03         4.5436277381645056e+01         2.2008845302189546e+05         0.0000000000000000e+00        -1.3538944921773211e-11        -4.9536486024237547e-12         9.0155643367451077e-12        -5.3207395087073728e-12
21                                     1.5558953849081685e+00         1.2549143901166841e+04         7.9686710733073846e+02         0.0000000000000000e+00         7.1970984995534901e-05         3.2126681179349783e-04         9.4493962051864040e-05        -6.6672031199648864e-05
22                                     1.5558953849083619e+00         1.2549143901168401e+04         7.9686710733063944e+02         0.0000000000000000e+00         8.1951668974248896e-05        -1.5258547664190176e-04        -1.5893022890580043e-04        -1.4094325026559303e-04
23                                     1.5558953849089419e+00         1.2549143901173080e+04         7.9686710733034238e+02         0.0000000000000000e+00         1.6886305369802573e-04        -1.6661175440620872e-04         2.4442143571861357e-04         8.3933915918159375e-05
24                                     1.5558953849091353e+00         1.2549143901174639e+04         7.9686710733024336e+02         0.0000000000000000e+00         5.3900277847573015e-05        -9.1712187275466380e-05         2.1493106103092301e-04         1.7849778860358172e-04
25                                     1.5558953849091353e+00         1.2549143901174639e+04         7.9686710733024336e+02         0.0000000000000000e+00         1.5120544114845974e-04        -5.5535349655731773e-05         7.1760277604937834e-05        -5.8494565631943084e-05
26                                     1.5558953849093287e+00         1.2549143901176198e+04         7.9686710733014434e+02         0.0000000000000000e+00         6.0495658123882617e-05         1.2839991313599342e-05        -2.5907255361170775e-04         9.2427663860590785e-06
27                                     1.5558953849093287e+00         1.2549143901176198e+04         7.9686710733014434e+02         0.0000000000000000e+00        -6.5028959638721950e-05        -5.6301794711468963e-06         2.3518965808056355e-04         3.9735465665138050e-06
28                                     1.5558953849095221e+00         1.2549143901177758e+04         7.9686710733004531e+02         0.0000000000000000e+00        -2.2447419121172812e-04         4.4475193304338123e-05         2.3521514840406187e-04        -7.8767096297947562e-05
29                                     1.5558953849104888e+00         1.2549143901185555e+04         7.9686710732955009e+02         0.0000000000000000e+00         6.6065837543544703e-06         8.4386710538864848e-05        -5.7018321395141764e-05         1.9544313122839772e-05
30                                     1.5558953849106820e+00         1.2549143901187115e+04         7.9686710732945107e+02         0.0000000000000000e+00        -3.0506298629048032e-04         2.2932194658079748e-05        -1.1009829072015921e-04         1.5187148949511456e-05
31                                     1.5577795225184328e+00         1.2564340497435558e+04         7.9590329488770601e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
32                                     1.5577795225192064e+00         1.2564340497441795e+04         7.9590329488731084e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
33                                     1.5577795225193996e+00         1.2564340497443354e+04         7.9590329488721204e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
34                                     1.5577795225195930e+00         1.2564340497444915e+04         7.9590329488711336e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
35                                     1.5577795225207531e+00         1.2564340497454270e+04         7.9590329488652060e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
36                                     3.8869190252003283e+00         3.1350119456971712e+04         3.1897805090424225e+02         0.0000000000000000e+00        -8.5960590108850345e-05         1.2733146124330018e-04         4.1730489312539288e-04         3.5147187028023169e-05
37                                     3.8869190252005219e+00         3.1350119456973272e+04         3.1897805090422639e+02         0.0000000000000000e+00        -3.2708684236571178e-04         9.9998335517562843e-05         1.9107083680605815e-04        -1.5711180879364982e-04
38                                     3.8888031628105928e+00         3.1365316053240429e+04         3.1882350501508415e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
                                                         8                           9

0                                     -7.7715685847591975e-02         5.1555233152268433e-02
1                                     -1.3344517565529876e-01        -7.3231574676662053e-02
2                                     -1.5632727872440971e-01        -4.2526847758978170e-03
3                                     -2.6422085385036159e-01         3.5227756939862583e-02
4                                      2.1916597352263847e-01        -1.0888726115172176e-01
5                                     -1.5357927865589255e-01        -1.1016327511588152e-01
6                                      1.1647961331041684e-01        -9.1266725523204653e-02
7                                     -5.5377060344735413e-02        -5.5309892072865033e-02
8                                     -2.1407080048993884e-02         2.5377428736625605e-02
9                                     -1.0148044029479784e-01        -1.3627848238760165e-01
10                                     8.2553052605525423e-02         8.5507461528550217e-04
11                                     7.1467440138466773e-02         8.2705077659326734e-02
12                                     9.0921648225055912e-02         5.0144786589162299e-02
13                                    -3.4658066201083380e-02         3.9291584905193626e-02
14                                    -2.4966275849539064e-02        -8.1926928191852183e-02
15                                     5.5533004192240595e-02        -2.0165149235027829e-01
16                                    -6.1571251569469965e-12         1.4868203022933013e-11
17                                    -1.2760140166712119e-12         8.3760494200280089e-12
18                                    -3.0995787533849573e-12         9.7003948927240624e-12
19                                     1.5162751046057799e-11         1.1192850465913118e-11
20                                    -6.0415591800200286e-12         1.1171718931890506e-11
21                                    -1.4571791989080220e-05        -1.1699322000689760e-04
22                                    -5.4151572520597679e-05        -1.1254177218059016e-04
23                                     1.2695487071730276e-04         1.3738886280320348e-04
24                                     2.0007278976381338e-04         9.0025488431557508e-06
25                                    -1.2949371185490507e-04         3.4986065013491247e-05
26                                     3.0795272523809414e-04        -8.1117089838985022e-05
27                                    -2.5825129096687541e-04        -7.8060022542291907e-05
28                                     1.8876922660382743e-04         9.5829727083934842e-05
29                                     1.6580941987871366e-04         1.2404951462811152e-04
30                                    -1.6970829089117513e-04        -1.1339121495517298e-05
31                                     0.0000000000000000e+00         0.0000000000000000e+00
32                                     0.0000000000000000e+00         0.0000000000000000e+00
33                                     0.0000000000000000e+00         0.0000000000000000e+00
34                                     0.0000000000000000e+00         0.0000000000000000e+00
35                                     0.0000000000000000e+00         0.0000000000000000e+00
36                                     2.9918647238142348e-04         1.4864349163498775e-04
37                                    -3.6069150664349924e-04        -4.8089893512743862e-05
38                                     0.0000000000000000e+00         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (39,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        1                          -1                           2                          -1
1                                                        2                          -1                           3                          -1
2                                                        1                          -1                           3                          -1
3                                                        0                          -1                           1                          -1
4                                                        0                          -1                           2                          -1
5                                                        0                          -1                           3                          -1
6                                                        2                          -1                           4                          -1
7                                                        1                          -1                           4                          -1
8                                                        2                          -1                           5                          -1
9                                                        2                          -1                           6                          -1
10                                                       1                          -1                           5                          -1
11                                                       1                          -1                           6                          -1
12                                                       2                          -1                           7                          -1
13                                                       1                          -1                           7                          -1
14                                                       2                          -1                           8                          -1
15                                                       1                          -1                           8                          -1
16                                                       0                          -1                           4                          -1
17                                                       0                          -1                           5                          -1
18                                                       0                          -1                           6                          -1
19                                                       0                          -1                           7                          -1
20                                                       0                          -1                           8                          -1
21                                                       2                          -1                           9                          -1
22                                                       1                          -1                           9                          -1
23                                                       2                          -1                          10                          -1
24                                                       2                          -1                          11                          -1
25                                                       1                          -1                          10                          -1
26                                                       1                          -1                          11                          -1
27                                                       2                          -1                          12                          -1
28                                                       1                          -1                          12                          -1
29                                                       2                          -1                          13                          -1
30                                                       1                          -1                          13                          -1
31                                                       0                          -1                           9                          -1
32                                                       0                          -1                          10                          -1
33                                                       0                          -1                          11                          -1
34                                                       0                          -1                          12                          -1
35                                                       0                          -1                          13                          -1
36                                                       2                          -1                          14                          -1
37                                                       1                          -1                          14                          -1
38                                                       0                          -1                          14                          -1
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (39,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      3.0000000000000013e+00         3.0000000000000009e+00
1                                      3.0000000000000009e+00         3.0000000000000009e+00
2                                      3.0000000000000013e+00         3.0000000000000009e+00
3                                      2.9999962729361345e+00         3.0000000000000013e+00
4                                      2.9999962729361345e+00         3.0000000000000009e+00
5                                      2.9999962729361345e+00         3.0000000000000009e+00
6                                      3.0000000000000009e+00         2.9999941511025519e+00
7                                      3.0000000000000013e+00         2.9999941511025519e+00
8                                      3.0000000000000009e+00         2.9999941511025514e+00
9                                      3.0000000000000009e+00         2.9999941511025487e+00
10                                     3.0000000000000013e+00         2.9999941511025514e+00
11                                     3.0000000000000013e+00         2.9999941511025487e+00
12                                     3.0000000000000009e+00         2.9999941511025487e+00
13                                     3.0000000000000013e+00         2.9999941511025487e+00
14                                     3.0000000000000009e+00         2.9999941511025487e+00
15                                     3.0000000000000013e+00         2.9999941511025487e+00
16                                     2.9999962729361345e+00         2.9999941511025519e+00
17                                     2.9999962729361345e+00         2.9999941511025514e+00
18                                     2.9999962729361345e+00         2.9999941511025487e+00
19                                     2.9999962729361345e+00         2.9999941511025487e+00
20                                     2.9999962729361345e+00         2.9999941511025487e+00
21                                     3.0000000000000009e+00         1.0000058488974515e+00
22                                     3.0000000000000013e+00         1.0000058488974515e+00
23                                     3.0000000000000009e+00         1.0000058488974517e+00
24                                     3.0000000000000009e+00         1.0000058488974515e+00
25                                     3.0000000000000013e+00         1.0000058488974517e+00
26                                     3.0000000000000013e+00         1.0000058488974515e+00
27                                     3.0000000000000009e+00         1.0000058488974513e+00
28                                     3.0000000000000013e+00         1.0000058488974513e+00
29                                     3.0000000000000009e+00         1.0000058488974513e+00
30                                     3.0000000000000013e+00         1.0000058488974513e+00
31                                     2.9999962729361345e+00         1.0000058488974515e+00
32                                     2.9999962729361345e+00         1.0000058488974517e+00
33                                     2.9999962729361345e+00         1.0000058488974515e+00
34                                     2.9999962729361345e+00         1.0000058488974513e+00
35                                     2.9999962729361345e+00         1.0000058488974513e+00
36                                     3.0000000000000009e+00         1.0000037270638664e+00
37                                     3.0000000000000013e+00         1.0000037270638664e+00
38                                     2.9999962729361345e+00         1.0000037270638664e+00
   &Temperature [&Type "Double"]       3.0000000000000000e+02
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -3.7687203024032598e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$Calculation_Info
   &GeometryIndex 1
   &Mult [&Type "Integer"] 3
   &Charge [&Type "Integer"] 0
   &NumOfAtoms [&Type "Integer"] 1
   &NumOfElectrons [&Type "Integer"] 6
   &NumOfBasisFuncts [&Type "Integer"] 31
   &NumOfAuxCBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJKBasisFuncts [&Type "Integer"] 0
   &NumOfCABSBasisFuncts [&Type "Integer"] 0
$End
$CASSCF_Dipole_Moment
   &GeometryIndex 1
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       1.9927570568657126e-15
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &doAtomicDipole [&Type "Boolean"] false
   &Method [&Type "String"] "CASSCF/ALL STATES AVERAGE"
   &Level [&Type "String"] "Unrelaxed density"
   &Mult [&Type "Integer"] -1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$Calculation_Timings
   &GeometryIndex 1
   &GTOINT [&Type "Double"]       1.1853999999999999e-01
   &SCF [&Type "Double"]       6.9572000000000023e-02
   &CASSCF [&Type "Double"]       3.7443699999999991e-01
   &PROPINT [&Type "Double"]       2.2481499999999999e-01
   &PROP [&Type "Double"]       5.9603000000000073e-02
   &SUM [&Type "Double"]       8.4696700000000003e-01
$End
