*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
   &GeometryIndex 1
   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "ProgCIS"
   &Status [&Type "String"] "NORMAL TERMINATION"
$End
$Geometry
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              C      0.000000000000    0.000000000000    0.000000000000
              O      0.000000000000    0.000000000000    2.286568622045
              H      0.000000000000    1.783839109459   -1.029900742987
              H      0.000000000000   -1.783839109459   -1.029900742987
$End
$SCF_Mulliken_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        6
1                                                        8
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                      5.8488703190389124e-02
1                                     -2.5763973108283089e-01
2                                      9.9575513953405248e-02
3                                      9.9575513939043625e-02
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Loewdin_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        6
1                                                        8
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                     -2.6855902920960784e-01
1                                      9.1017978456462423e-02
2                                      8.8770525377836473e-02
3                                      8.8770525375343690e-02
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Mayer_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4 "Total number of atoms"
   &NBondOrdersPrint [&Type "Integer"] 3 "The number of bond orders larger than threshold"
   &bondThresh [&Type "Double"]       1.0000000000000001e-01  "The threshold for printing"
   &components [&Type "ArrayOfIntegers", &Dim (3,4)] "The indices and atomic numbers of the bonding atoms"
                                                         0                           1                           2                           3

0                                                        0                           6                           1                           8
1                                                        0                           6                           2                           1
2                                                        0                           6                           3                           1
   &BondOrders [&Type "ArrayOfDoubles", &Dim (3,1)] "The bond orders"
                                                         0

0                                      2.0980413011188874e+00
1                                      9.2609520261678535e-01
2                                      9.2609520260986988e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] "Atomic number of the elements"
                                                         0

0                                                        6
1                                                        8
2                                                        1
3                                                        1
   &NA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic population"
                                                         0

0                                      5.9415112968096144e+00
1                                      8.2576397310828451e+00
2                                      9.0042448604659520e-01
3                                      9.0042448606095649e-01
   &ZA [&Type "ArrayOfDoubles", &Dim (4,1)] "Total nuclear charge"
                                                         0

0                                      6.0000000000000000e+00
1                                      8.0000000000000000e+00
2                                      1.0000000000000000e+00
3                                      1.0000000000000000e+00
   &QA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic charge"
                                                         0

0                                      5.8488703190385571e-02
1                                     -2.5763973108284510e-01
2                                      9.9575513953404804e-02
3                                      9.9575513939043514e-02
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      3.9502317063455417e+00
1                                      2.1277276301054808e+00
2                                      9.3224598116721902e-01
3                                      9.3224598115952284e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      3.9502317063455425e+00
1                                      2.1277276301054342e+00
2                                      9.3224598116721924e-01
3                                      9.3224598115951773e-01
   &FA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's free valence"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
3                                      0.0000000000000000e+00
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$SCF_Energy
   &GeometryIndex 1
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -1.1441773768098983e+02
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 1
   &nAlphaEl [&Type "Integer"] 8
   &nBetaEl [&Type "Integer"] 8
   &nTotalEl [&Type "Integer"] 16
   &finalEn [&Type "Double"]      -1.1441773768098983e+02  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -1.0550197918323077e+01
   &eCorr [&Type "Double"]      -5.1699147396651679e-01
   &eXC [&Type "Double"]      -1.1067189392289594e+01
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       3.6177950000000001e+00
   &PREP [&Type "Double"]       2.8773000000000000e-02
   &FOCK [&Type "Double"]       3.3480410000000003e+00
   &DENS [&Type "Double"]       3.4720000000008078e-03
   &ETOT [&Type "Double"]       6.7999999999968086e-04
   &POP [&Type "Double"]       1.5329999999997845e-03
   &TRAFO [&Type "Double"]       2.1569999999997425e-03
   &DIIS [&Type "Double"]       9.2820000000000680e-03
   &SOSCF [&Type "Double"]       5.6159999999998433e-03
   &J [&Type "Double"]       2.3970210000000010e+00
   &XC [&Type "Double"]       1.1838700000000006e+00
   &FOCKSTART [&Type "Double"]       7.1299999999963060e-04
   &INT_PREP [&Type "Double"]       1.0000000001397780e-06
   &INT_BF [&Type "Double"]       4.7447799999998636e-01
   &INT_DENS [&Type "Double"]       2.1093199999999940e-01
   &INT_DENSIO [&Type "Double"]       8.1535343229999944e+03
   &INT_FUNC [&Type "Double"]       1.2965399999999802e-01
   &INT_POT [&Type "Double"]       3.2675900000001756e-01
   &INT_POTIO [&Type "Double"]       1.0678000000001076e-02
   &INT_SUM [&Type "Double"]       4.0000000002815561e-06
   &FROZCORE [&Type "Double"]       1.2899999999982370e-04
$End
$RPA_Absorption_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 22
   &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-RPA"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 10
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (10,11)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      3.9348186469860633e+00         3.1736456001466398e+04         3.1509504399413544e+02         0.0000000000000000e+00         0.0000000000000000e+00         2.7882683480335603e-12         0.0000000000000000e+00         1.2562300758501923e-10
1                                      8.2214498511183915e+00         6.6310471937032446e+04         1.5080574316370223e+02         8.3828172849541971e-02         4.1618216843226025e-01         1.6704038057722996e-12         0.0000000000000000e+00         6.4512182448918920e-01
2                                      9.0028656997006333e+00         7.2613016456174213e+04         1.3771635566242489e+02         1.6121446569523858e-04         7.3091204211873744e-04        -2.7035385000379362e-02         0.0000000000000000e+00        -3.1781984643814335e-12
3                                      9.3762807524754415e+00         7.5624812286142202e+04         1.3223173317988440e+02         4.1843616416631792e-02         1.8215474544982449e-01        -2.7684167367431638e-12         0.0000000000000000e+00         4.2679590608372109e-01
4                                      9.4272308293127267e+00         7.6035752412456903e+04         1.3151707825227891e+02         1.0431847337698801e-02         4.5166762533343938e-02         3.3358769644759230e-11         0.0000000000000000e+00        -1.9777904131966571e-08
5                                      1.0255742829886190e+01         8.2718153054485709e+04         1.2089244779695564e+02         3.5169059867587010e-01         1.3997017881810765e+00        -1.8150848219673824e-11         0.0000000000000000e+00        -1.5605327883866024e-09
6                                      1.0399012891487846e+01         8.3873704152077233e+04         1.1922687928350351e+02         0.0000000000000000e+00         0.0000000000000000e+00         3.6948579817543234e-12         0.0000000000000000e+00        -1.6476147177623103e-10
7                                      1.1649643931994113e+01         9.3960724813498804e+04         1.0642744635962362e+02         1.2649591916641634e-02         4.4320611536281883e-02         2.1052461028649805e-01         0.0000000000000000e+00         0.0000000000000000e+00
8                                      1.2010233837610361e+01         9.6869078844739503e+04         1.0323211616400182e+02         0.0000000000000000e+00         0.0000000000000000e+00         1.0001566814610935e-11         0.0000000000000000e+00        -3.6877304597248041e-09
9                                      1.2056995980391539e+01         9.7246241001385759e+04         1.0283173824536313e+02         2.5531525218058501e-02         8.6432987448768789e-02         4.3022974228600366e-12         0.0000000000000000e+00        -2.9399487656891027e-01
                                                         8                           9                          10

0                                      0.0000000000000000e+00        -4.4967496798778607e-12         0.0000000000000000e+00
1                                      0.0000000000000000e+00        -2.6497934472709608e-10         0.0000000000000000e+00
2                                      0.0000000000000000e+00         1.7403596108775654e-11         0.0000000000000000e+00
3                                      0.0000000000000000e+00        -6.3751590933250812e-09         0.0000000000000000e+00
4                                      0.0000000000000000e+00        -2.1252473393312024e-01         0.0000000000000000e+00
5                                      0.0000000000000000e+00         1.1830899324147242e+00         0.0000000000000000e+00
6                                      0.0000000000000000e+00         4.6726251046599172e-11         0.0000000000000000e+00
7                                      0.0000000000000000e+00        -4.2244444235509179e-10         0.0000000000000000e+00
8                                      0.0000000000000000e+00        -1.0723235814208236e-11         0.0000000000000000e+00
9                                      0.0000000000000000e+00         9.6542379093237513e-10         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (10,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        0                           0                           1                           0
1                                                        0                           0                           2                           0
2                                                        0                           0                           3                           0
3                                                        0                           0                           4                           0
4                                                        0                           0                           5                           0
5                                                        0                           0                           6                           0
6                                                        0                           0                           7                           0
7                                                        0                           0                           8                           0
8                                                        0                           0                           9                           0
9                                                        0                           0                          10                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (10,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      1.0000000000000000e+00         1.0000000000000000e+00
1                                      1.0000000000000000e+00         1.0000000000000000e+00
2                                      1.0000000000000000e+00         1.0000000000000000e+00
3                                      1.0000000000000000e+00         1.0000000000000000e+00
4                                      1.0000000000000000e+00         1.0000000000000000e+00
5                                      1.0000000000000000e+00         1.0000000000000000e+00
6                                      1.0000000000000000e+00         1.0000000000000000e+00
7                                      1.0000000000000000e+00         1.0000000000000000e+00
8                                      1.0000000000000000e+00         1.0000000000000000e+00
9                                      1.0000000000000000e+00         1.0000000000000000e+00
   &Temperature [&Type "Double"]       2.9814999999999998e+02
$End
$RPA_Absorption_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 22
   &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-RPA"
   &Representation [&Type "String"] "Velocity" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 10
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (10,11)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      3.9348186469860633e+00         3.1736456001466398e+04         3.1509504399413544e+02         0.0000000000000000e+00         0.0000000000000000e+00        -1.1045008047173998e-12         0.0000000000000000e+00        -3.3040926866267838e-11
1                                      8.2214498511183915e+00         6.6310471937032446e+04         1.5080574316370223e+02         7.1097815594610106e-02         3.2221466849521707e-02        -1.0531320799710947e-12         0.0000000000000000e+00        -1.7950338952098288e-01
2                                      9.0028656997006333e+00         7.2613016456174213e+04         1.3771635566242489e+02         6.2079801944720783e-04         3.0808583563542868e-04         1.7552374074051313e-02         0.0000000000000000e+00         1.1144130253410759e-12
3                                      9.3762807524754415e+00         7.5624812286142202e+04         1.3223173317988440e+02         4.9270877774722818e-02         2.5466047213353191e-02         1.9695054946857850e-12         0.0000000000000000e+00        -1.5958084851683546e-01
4                                      9.4272308293127267e+00         7.6035752412456903e+04         1.3151707825227891e+02         9.3900595205997708e-03         4.8797000119633564e-03        -2.2178339860964842e-11         0.0000000000000000e+00         7.5089541867398579e-09
5                                      1.0255742829886190e+01         8.2718153054485709e+04         1.2089244779695564e+02         3.5250741998075996e-01         1.9928564776401772e-01         1.8611034480338337e-11         0.0000000000000000e+00         6.9836941177930933e-10
6                                      1.0399012891487846e+01         8.3873704152077233e+04         1.1922687928350351e+02         0.0000000000000000e+00         0.0000000000000000e+00         2.3794371144765240e-12         0.0000000000000000e+00         8.5809954724136589e-11
7                                      1.1649643931994113e+01         9.3960724813498804e+04         1.0642744635962362e+02         1.0709389147656146e-02         6.8773003084082107e-03        -8.2929489980393650e-02         0.0000000000000000e+00         0.0000000000000000e+00
8                                      1.2010233837610361e+01         9.6869078844739503e+04         1.0323211616400182e+02         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.6988823997191252e-09
9                                      1.2056995980391539e+01         9.7246241001385759e+04         1.0283173824536313e+02         2.6637406867687521e-02         1.7704012111991473e-02        -1.1911493741190497e-12         0.0000000000000000e+00         1.3305642454234021e-01
                                                         8                           9                          10

0                                      0.0000000000000000e+00         1.0211670829296439e-12         0.0000000000000000e+00
1                                      0.0000000000000000e+00         1.3240693591606619e-10         0.0000000000000000e+00
2                                      0.0000000000000000e+00        -7.9177599995760792e-12         0.0000000000000000e+00
3                                      0.0000000000000000e+00         1.9468391576008584e-09         0.0000000000000000e+00
4                                      0.0000000000000000e+00         6.9854849595166260e-02         0.0000000000000000e+00
5                                      0.0000000000000000e+00        -4.4641421097901635e-01         0.0000000000000000e+00
6                                      0.0000000000000000e+00        -1.7402803269859492e-11         0.0000000000000000e+00
7                                      0.0000000000000000e+00         1.3793390503587499e-10         0.0000000000000000e+00
8                                      0.0000000000000000e+00         3.0844734476222147e-11         0.0000000000000000e+00
9                                      0.0000000000000000e+00        -6.2024488796598644e-10         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (10,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        0                           0                           1                           0
1                                                        0                           0                           2                           0
2                                                        0                           0                           3                           0
3                                                        0                           0                           4                           0
4                                                        0                           0                           5                           0
5                                                        0                           0                           6                           0
6                                                        0                           0                           7                           0
7                                                        0                           0                           8                           0
8                                                        0                           0                           9                           0
9                                                        0                           0                          10                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (10,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      1.0000000000000000e+00         1.0000000000000000e+00
1                                      1.0000000000000000e+00         1.0000000000000000e+00
2                                      1.0000000000000000e+00         1.0000000000000000e+00
3                                      1.0000000000000000e+00         1.0000000000000000e+00
4                                      1.0000000000000000e+00         1.0000000000000000e+00
5                                      1.0000000000000000e+00         1.0000000000000000e+00
6                                      1.0000000000000000e+00         1.0000000000000000e+00
7                                      1.0000000000000000e+00         1.0000000000000000e+00
8                                      1.0000000000000000e+00         1.0000000000000000e+00
9                                      1.0000000000000000e+00         1.0000000000000000e+00
   &Temperature [&Type "Double"]       2.9814999999999998e+02
$End
$RPA_ECD_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 22
   &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-RPA"
   &Representation [&Type "String"] "Length" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 10
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (10,10)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      3.9348186469860633e+00         3.1736456001466398e+04         3.1509504399413544e+02        -1.3033872594578695e-09        -8.6162336377442740e-11         0.0000000000000000e+00         6.1576724340398217e-12         0.0000000000000000e+00
1                                      8.2214498511183915e+00         6.6310471937032446e+04         1.5080574316370223e+02         6.6625622850071414e-10        -4.8458642514071881e-01         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
2                                      9.0028656997006333e+00         7.2613016456174213e+04         1.3771635566242489e+02         1.1530542121234802e-09        -1.2953151675865424e-12         0.0000000000000000e+00         7.8056095277093018e-01         0.0000000000000000e+00
3                                      9.3762807524754415e+00         7.5624812286142202e+04         1.3223173317988440e+02         1.4894768413542592e-09         4.4495990750776288e-01         0.0000000000000000e+00        -4.5162433028214158e-12         0.0000000000000000e+00
4                                      9.4272308293127267e+00         7.6035752412456903e+04         1.3151707825227891e+02        -9.5569167600062483e-10        -2.0881770824328892e-08         0.0000000000000000e+00        -2.0372315724965224e-12         0.0000000000000000e+00
5                                      1.0255742829886190e+01         8.2718153054485709e+04         1.2089244779695564e+02         1.3280107006188889e-08        -1.4337508107294637e-09         0.0000000000000000e+00         3.0460101209523664e-11         0.0000000000000000e+00
6                                      1.0399012891487846e+01         8.3873704152077233e+04         1.1922687928350351e+02        -7.6278232767634035e-09         6.0261966735033692e-11         0.0000000000000000e+00         1.2434168679570237e-11         0.0000000000000000e+00
7                                      1.1649643931994113e+01         9.3960724813498804e+04         1.0642744635962362e+02        -3.7346631785504603e-11         0.0000000000000000e+00         0.0000000000000000e+00         5.4378711326567568e-02         0.0000000000000000e+00
8                                      1.2010233837610361e+01         9.6869078844739503e+04         1.0323211616400182e+02         7.9900181463641064e-11         3.5315263835141760e-09         0.0000000000000000e+00         1.7824022891717921e-12         0.0000000000000000e+00
9                                      1.2056995980391539e+01         9.7246241001385759e+04         1.0283173824536313e+02        -7.3036891338116766e-11         3.0182913107421772e-01         0.0000000000000000e+00         3.8899960837983946e-12         0.0000000000000000e+00
                                                         8                           9

0                                     -6.1480666131076667e-01         0.0000000000000000e+00
1                                      7.9914561463205415e-11         0.0000000000000000e+00
2                                      1.0982974038152744e-12         0.0000000000000000e+00
3                                      1.2760134097588036e-11         0.0000000000000000e+00
4                                     -9.5383283404178958e-12         0.0000000000000000e+00
5                                     -2.3809354468773346e-11         0.0000000000000000e+00
6                                      3.4626092916033802e-01         0.0000000000000000e+00
7                                     -7.7413119859738588e-12         0.0000000000000000e+00
8                                      1.5804682948341219e-02         0.0000000000000000e+00
9                                     -2.8451309800807452e-10         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (10,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        0                           0                           1                           0
1                                                        0                           0                           2                           0
2                                                        0                           0                           3                           0
3                                                        0                           0                           4                           0
4                                                        0                           0                           5                           0
5                                                        0                           0                           6                           0
6                                                        0                           0                           7                           0
7                                                        0                           0                           8                           0
8                                                        0                           0                           9                           0
9                                                        0                           0                          10                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (10,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      1.0000000000000000e+00         1.0000000000000000e+00
1                                      1.0000000000000000e+00         1.0000000000000000e+00
2                                      1.0000000000000000e+00         1.0000000000000000e+00
3                                      1.0000000000000000e+00         1.0000000000000000e+00
4                                      1.0000000000000000e+00         1.0000000000000000e+00
5                                      1.0000000000000000e+00         1.0000000000000000e+00
6                                      1.0000000000000000e+00         1.0000000000000000e+00
7                                      1.0000000000000000e+00         1.0000000000000000e+00
8                                      1.0000000000000000e+00         1.0000000000000000e+00
9                                      1.0000000000000000e+00         1.0000000000000000e+00
   &Temperature [&Type "Double"]       2.9814999999999998e+02
$End
$RPA_ECD_Spectrum
   &GeometryIndex 1
   &Method [&Type "Integer"] 22
   &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-RPA"
   &Representation [&Type "String"] "Velocity" "Possible values: Unknown,  Length, Velocity"
   &PointGroup [&Type "String"] "C1"
   &DoHigherMoments [&Type "Boolean"] false
   &NTrans [&Type "Integer"] 10
   &ExcitationEnergies [&Type "ArrayOfDoubles", &Dim (10,10)] 
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      3.9348186469860633e+00         3.1736456001466398e+04         3.1509504399413544e+02        -2.0469039621271333e-09        -8.6162336377442740e-11         0.0000000000000000e+00         6.1576724340398217e-12         0.0000000000000000e+00
1                                      8.2214498511183915e+00         6.6310471937032446e+04         1.5080574316370223e+02         1.0584646959383930e-09        -4.8458642514071881e-01         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00
2                                      9.0028656997006333e+00         7.2613016456174213e+04         1.3771635566242489e+02         1.2071377815497273e-09        -1.2953151675865424e-12         0.0000000000000000e+00         7.8056095277093018e-01         0.0000000000000000e+00
3                                      9.3762807524754415e+00         7.5624812286142202e+04         1.3223173317988440e+02         2.1851266571078125e-09         4.4495990750776288e-01         0.0000000000000000e+00        -4.5162433028214158e-12         0.0000000000000000e+00
4                                      9.4272308293127267e+00         7.6035752412456903e+04         1.3151707825227891e+02        -9.0671586179112159e-10        -2.0881770824328892e-08         0.0000000000000000e+00        -2.0372315724965224e-12         0.0000000000000000e+00
5                                      1.0255742829886190e+01         8.2718153054485709e+04         1.2089244779695564e+02         1.3295519944874058e-08        -1.4337508107294637e-09         0.0000000000000000e+00         3.0460101209523664e-11         0.0000000000000000e+00
6                                      1.0399012891487846e+01         8.3873704152077233e+04         1.1922687928350351e+02        -7.4339117336493208e-09         6.0261966735033692e-11         0.0000000000000000e+00         1.2434168679570237e-11         0.0000000000000000e+00
7                                      1.1649643931994113e+01         9.3960724813498804e+04         1.0642744635962362e+02        -6.5136991412056111e-12         0.0000000000000000e+00         0.0000000000000000e+00         5.4378711326567568e-02         0.0000000000000000e+00
8                                      1.2010233837610361e+01         9.6869078844739503e+04         1.0323211616400182e+02         5.2071750684835823e-10         3.5315263835141760e-09         0.0000000000000000e+00         1.7824022891717921e-12         0.0000000000000000e+00
9                                      1.2056995980391539e+01         9.7246241001385759e+04         1.0283173824536313e+02         1.6818411394630152e-10         3.0182913107421772e-01         0.0000000000000000e+00         3.8899960837983946e-12         0.0000000000000000e+00
                                                         8                           9

0                                     -6.1480666131076667e-01         0.0000000000000000e+00
1                                      7.9914561463205415e-11         0.0000000000000000e+00
2                                      1.0982974038152744e-12         0.0000000000000000e+00
3                                      1.2760134097588036e-11         0.0000000000000000e+00
4                                     -9.5383283404178958e-12         0.0000000000000000e+00
5                                     -2.3809354468773346e-11         0.0000000000000000e+00
6                                      3.4626092916033802e-01         0.0000000000000000e+00
7                                     -7.7413119859738588e-12         0.0000000000000000e+00
8                                      1.5804682948341219e-02         0.0000000000000000e+00
9                                     -2.8451309800807452e-10         0.0000000000000000e+00
   &States [&Type "ArrayOfIntegers", &Dim (10,4)] "The initial and Final states. Col1: Initial State  Col2: Initial Irrep Col3: Final State Col4: Final Irrep"
                                                         0                           1                           2                           3

0                                                        0                           0                           1                           0
1                                                        0                           0                           2                           0
2                                                        0                           0                           3                           0
3                                                        0                           0                           4                           0
4                                                        0                           0                           5                           0
5                                                        0                           0                           6                           0
6                                                        0                           0                           7                           0
7                                                        0                           0                           8                           0
8                                                        0                           0                           9                           0
9                                                        0                           0                          10                           0
   &Multiplicities [&Type "ArrayOfDoubles", &Dim (10,2)] "Col1: Multiplicity of the initial state  Col2: Multiplicity of the final state"
                                                         0                           1

0                                      1.0000000000000000e+00         1.0000000000000000e+00
1                                      1.0000000000000000e+00         1.0000000000000000e+00
2                                      1.0000000000000000e+00         1.0000000000000000e+00
3                                      1.0000000000000000e+00         1.0000000000000000e+00
4                                      1.0000000000000000e+00         1.0000000000000000e+00
5                                      1.0000000000000000e+00         1.0000000000000000e+00
6                                      1.0000000000000000e+00         1.0000000000000000e+00
7                                      1.0000000000000000e+00         1.0000000000000000e+00
8                                      1.0000000000000000e+00         1.0000000000000000e+00
9                                      1.0000000000000000e+00         1.0000000000000000e+00
   &Temperature [&Type "Double"]       2.9814999999999998e+02
$End
$CIS_Energies
   &GeometryIndex 1
   &e0 [&Type "Double"]      -1.1441773768098983e+02  "Ground state energy"
   &multP1 [&Type "Boolean"] false "Do the higher multiplicity too?"
   &mode [&Type "String"] "TD-DFT" "CIS mode: CIS, RPA, TDA, TD-DFT, sTDA, sTD-DFT"
   &dCorr [&Type "Integer"] 0 "(D) Correction algorithm"
   &Method [&Type "String"] "TDA/CIS"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (10,1)] "Total energy of each state"
                                                         0

0                                     -1.1427313574770533e+02
1                                     -1.1411560494006059e+02
2                                     -1.1408688843428448e+02
3                                     -1.1407316568276957e+02
4                                     -1.1407129330178518e+02
5                                     -1.1404084604416529e+02
6                                     -1.1403558096596269e+02
7                                     -1.1398962111812540e+02
8                                     -1.1397636968212468e+02
9                                     -1.1397465120489426e+02
   &Mult [&Type "ArrayOfIntegers", &Dim (10,1)] "Multiplicity of each state"
                                                         0

0                                                        1
1                                                        1
2                                                        1
3                                                        1
4                                                        1
5                                                        1
6                                                        1
7                                                        1
8                                                        1
9                                                        1
   &RelCorr [&Type "String"] "None" "Relativistic correction (SOC and/or SSC)"
   &NBlocks [&Type "Integer"] 1 "Number of multiplicity blocks"
   &NRoots [&Type "ArrayOfIntegers", &Dim (1,1)] "Number of roots in each block"
                                                         0

0                                                       10
   &NTotalRoots [&Type "Integer"] 10 "Total number of roots"
   &Block [&Type "ArrayOfIntegers", &Dim (10,1)] "Block index of each state"
                                                         0

0                                                        0
1                                                        0
2                                                        0
3                                                        0
4                                                        0
5                                                        0
6                                                        0
7                                                        0
8                                                        0
9                                                        0
   &Root [&Type "ArrayOfIntegers", &Dim (10,1)] "Root index within the block"
                                                         0

0                                                        0
1                                                        1
2                                                        2
3                                                        3
4                                                        4
5                                                        5
6                                                        6
7                                                        7
8                                                        8
9                                                        9
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -1.1427313574770533e+02  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$Calculation_Info
   &GeometryIndex 1
   &Mult [&Type "Integer"] 1
   &Charge [&Type "Integer"] 0
   &NumOfAtoms [&Type "Integer"] 4
   &NumOfElectrons [&Type "Integer"] 16
   &NumOfBasisFuncts [&Type "Integer"] 74
   &NumOfAuxCBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJKBasisFuncts [&Type "Integer"] 0
   &NumOfCABSBasisFuncts [&Type "Integer"] 0
$End
$SCF_Dipole_Moment
   &GeometryIndex 1
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       9.4050053431677139e-01
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      2.3776519618302927e-12
1                                      4.0154227599203951e-12
2                                      1.2142995600496027e+00
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                     -2.1548000943663741e+00
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      2.3776519618302927e-12
1                                      4.0154227599203951e-12
2                                     -9.4050053431677139e-01
   &doAtomicDipole [&Type "Boolean"] false
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$Calculation_Timings
   &GeometryIndex 1
   &GTOINT [&Type "Double"]       1.6044700000000001e-01
   &SCF [&Type "Double"]       3.7608629999999996e+00
   &CIS [&Type "Double"]       6.2425949999999997e+00
   &PROPINT [&Type "Double"]       4.7188000000000230e-02
   &PROP [&Type "Double"]       4.3461999999999890e-02
   &SUM [&Type "Double"]       1.0254555000000000e+01
$End
