*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
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   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "LeanSCF"
   &Status [&Type "String"] "NORMAL TERMINATION"
$End
$Geometry
   &GeometryIndex 1
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   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N     -0.000346366234    0.000003306111    0.384289359000
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              H     -0.889278894349    1.540303989302   -0.323354299067
              H     -0.889280501937   -1.540307140542   -0.323355183081
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$SCF_Mulliken_Population_Analysis
   &GeometryIndex 1
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   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                     -7.0164614917640300e-01
1                                      2.3389988306976961e-01
2                                      2.3387296790831180e-01
3                                      2.3387329819827518e-01
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
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$SCF_Loewdin_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                     -3.9668920476990444e-01
1                                      1.3236173210715407e-01
2                                      1.3216264105934594e-01
3                                      1.3216483160335957e-01
   &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                           7                           1                           1
1                                                        0                           7                           2                           1
2                                                        0                           7                           3                           1
   &BondOrders [&Type "ArrayOfDoubles", &Dim (3,1)] "The bond orders"
                                                         0

0                                      9.4371001261377396e-01
1                                      9.4373682912157253e-01
2                                      9.4373651254614321e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] "Atomic number of the elements"
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &NA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic population"
                                                         0

0                                      7.7016461491764154e+00
1                                      7.6610011693023095e-01
2                                      7.6612703209168853e-01
3                                      7.6612670180172515e-01
   &ZA [&Type "ArrayOfDoubles", &Dim (4,1)] "Total nuclear charge"
                                                         0

0                                      7.0000000000000000e+00
1                                      1.0000000000000000e+00
2                                      1.0000000000000000e+00
3                                      1.0000000000000000e+00
   &QA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic charge"
                                                         0

0                                     -7.0164614917641543e-01
1                                      2.3389988306976905e-01
2                                      2.3387296790831147e-01
3                                      2.3387329819827485e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8311833542814706e+00
1                                      9.4600759335203377e-01
2                                      9.4604086202294668e-01
3                                      9.4604047124040402e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8311833542814897e+00
1                                      9.4600759335203843e-01
2                                      9.4604086202295712e-01
3                                      9.4604047124041146e-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
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$SCF_Energy
   &GeometryIndex 1
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   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513217599286470e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
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$DFT_Energy
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   &nTotalEl [&Type "Integer"] 10
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   &eExchange [&Type "Double"]      -5.7308298435079390e+00
   &eCorr [&Type "Double"]      -3.1635065631609660e-01
   &eXC [&Type "Double"]      -6.0471804998240355e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 1
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   &PREP [&Type "Double"]       5.9251999999999999e-02
   &FOCK [&Type "Double"]       3.7127109999999992e+00
   &DENS [&Type "Double"]       2.8239999999999377e-03
   &ETOT [&Type "Double"]       5.9100000000017472e-04
   &POP [&Type "Double"]       1.3880000000003889e-03
   &TRAFO [&Type "Double"]       1.9109999999995519e-03
   &DIIS [&Type "Double"]       5.6350000000000011e-03
   &SOSCF [&Type "Double"]       3.2810000000000894e-03
   &XC [&Type "Double"]       1.4948260000000007e+00
   &FOCKSTART [&Type "Double"]       6.0299999999986059e-04
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   &INT_BF [&Type "Double"]       6.1909000000001280e-01
   &INT_DENS [&Type "Double"]       2.3395299999999192e-01
   &INT_DENSIO [&Type "Double"]       1.5097787763000013e+04
   &INT_FUNC [&Type "Double"]       2.4789699999999143e-01
   &INT_POT [&Type "Double"]       3.1114699999999235e-01
   &INT_POTIO [&Type "Double"]       2.1736999999995066e-02
   &INT_SUM [&Type "Double"]       3.0000000000307558e-06
   &SPLITRIJ [&Type "Double"]       7.2254999999999542e-02
   &COSX [&Type "Double"]       2.4486330000000014e+00
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -5.6513217599286470e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.2099924140238352e-03
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                     -3.6167184732811185e-04
1                                      3.4565836293448761e-06
2                                      3.6464160566726522e-04
3                                      8.2004197999802075e-04
4                                     -1.6846072779885684e-07
5                                     -2.1676512577552265e-04
6                                     -2.2833306072121695e-04
7                                      4.2546847362667783e-04
8                                     -7.3143887567045374e-05
9                                     -2.3003707413787877e-04
10                                    -4.2875659647798048e-04
11                                    -7.4732588224213359e-05
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
   &Irrep [&Type "Integer"] 0
$End
$Geometry
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N     -0.000062902874    0.000000663683    0.384641974525
              H      1.776911485203   -0.000001327988   -0.323473263145
              H     -0.888425262307    1.539016885141   -0.323510093905
              H     -0.888423319649   -1.539016225035   -0.323509762179
$End
$SCF_Energy
   &GeometryIndex 2
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513219035344413e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 2
   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
   &nTotalEl [&Type "Integer"] 10
   &finalEn [&Type "Double"]      -5.6513219035344413e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7315278345406719e+00
   &eCorr [&Type "Double"]      -3.1639153537129616e-01
   &eXC [&Type "Double"]      -6.0479193699119680e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 2
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   &PREP [&Type "Double"]       6.0656000000000043e-02
   &FOCK [&Type "Double"]       2.1522670000000002e+00
   &DENS [&Type "Double"]       1.0609999999999786e-03
   &ETOT [&Type "Double"]       3.6099999999972265e-04
   &POP [&Type "Double"]       9.9999999969568876e-07
   &TRAFO [&Type "Double"]       7.1599999999971686e-04
   &DIIS [&Type "Double"]       7.8999999999995740e-04
   &SOSCF [&Type "Double"]       2.7040000000003728e-03
   &XC [&Type "Double"]       7.4278200000000039e-01
   &FOCKSTART [&Type "Double"]       4.5200000000000795e-04
   &INT_BF [&Type "Double"]       3.1083399999998884e-01
   &INT_DENS [&Type "Double"]       1.1598200000001357e-01
   &INT_DENSIO [&Type "Double"]       4.9199690489999912e+03
   &INT_FUNC [&Type "Double"]       1.2382399999999905e-01
   &INT_POT [&Type "Double"]       1.5293299999999288e-01
   &INT_POTIO [&Type "Double"]       9.7930000000043815e-03
   &INT_SUM [&Type "Double"]       2.0000000000575113e-06
   &SPLITRIJ [&Type "Double"]       3.5951999999999762e-02
   &COSX [&Type "Double"]       1.6919900000000001e+00
$End
$Single_Point_Data
   &GeometryIndex 2
   &FinalEnergy [&Type "Double"]      -5.6513219035344413e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.9729182952033872e-04
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      2.0311976704193342e-06
1                                      1.1828633561845251e-09
2                                     -1.3963632155042371e-04
3                                     -8.1380406630165991e-05
4                                     -1.7966092283109773e-07
5                                      4.7751039978505272e-05
6                                      3.9520383921312630e-05
7                                     -3.9590784901594178e-05
8                                      4.5942693478503993e-05
9                                      3.9828822793519514e-05
10                                     3.9769262950239970e-05
11                                     4.5942592160341800e-05
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
   &Irrep [&Type "Integer"] 0
$End
$Geometry
   &GeometryIndex 3
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N     -0.000044662039    0.000000465992    0.384816799655
              H      1.777035475993   -0.000000645420   -0.323526684582
              H     -0.888495844065    1.539024388165   -0.323570841274
              H     -0.888494969516   -1.539024212936   -0.323570418503
$End
$SCF_Mulliken_Population_Analysis
   &GeometryIndex 3
   &NAtoms [&Type "Integer"] 4
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                     -7.0104135967335779e-01
1                                      2.3367387492417402e-01
2                                      2.3368378148866342e-01
3                                      2.3368370326052879e-01
   &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 3
   &NAtoms [&Type "Integer"] 4
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] 
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
                                                         0

0                                     -3.9595889583156030e-01
1                                      1.3198558031529073e-01
2                                      1.3198665931084430e-01
3                                      1.3198665620544159e-01
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
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$SCF_Mayer_Population_Analysis
   &GeometryIndex 3
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   &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                           7                           1                           1
1                                                        0                           7                           2                           1
2                                                        0                           7                           3                           1
   &BondOrders [&Type "ArrayOfDoubles", &Dim (3,1)] "The bond orders"
                                                         0

0                                      9.4391426009218182e-01
1                                      9.4390798347575433e-01
2                                      9.4390803347448682e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] "Atomic number of the elements"
                                                         0

0                                                        7
1                                                        1
2                                                        1
3                                                        1
   &NA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic population"
                                                         0

0                                      7.7010413596733569e+00
1                                      7.6632612507582654e-01
2                                      7.6631621851133647e-01
3                                      7.6631629673947155e-01
   &ZA [&Type "ArrayOfDoubles", &Dim (4,1)] "Total nuclear charge"
                                                         0

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

0                                     -7.0104135967335690e-01
1                                      2.3367387492417346e-01
2                                      2.3368378148866353e-01
3                                      2.3368370326052845e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8317302770424360e+00
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2                                      9.4616117100040287e-01
3                                      9.4616118622426104e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8317302770424231e+00
1                                      9.4616481729268609e-01
2                                      9.4616117100040664e-01
3                                      9.4616118622426049e-01
   &FA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's free valence"
                                                         0

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

0                                     -5.6513222705941061e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
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$DFT_Energy
   &GeometryIndex 3
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   &finalEn [&Type "Double"]      -5.6513222705941061e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7314566312478625e+00
   &eCorr [&Type "Double"]      -3.1638744424046700e-01
   &eXC [&Type "Double"]      -6.0478440754883298e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
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$SCF_Timings
   &GeometryIndex 3
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   &PREP [&Type "Double"]       6.0605999999999993e-02
   &FOCK [&Type "Double"]       1.4751759999999998e+00
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   &ETOT [&Type "Double"]       2.3900000000021127e-04
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   &INT_BF [&Type "Double"]       2.0697500000000219e-01
   &INT_DENS [&Type "Double"]       7.7864999999997186e-02
   &INT_DENSIO [&Type "Double"]       2.3821203959999975e+03
   &INT_FUNC [&Type "Double"]       8.3731999999999196e-02
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   &INT_POTIO [&Type "Double"]       6.0969999999976321e-03
   &INT_SUM [&Type "Double"]       1.9999999998909779e-06
   &SPLITRIJ [&Type "Double"]       2.4062000000000174e-02
   &COSX [&Type "Double"]       1.2807849999999998e+00
$End
$Single_Point_Data
   &GeometryIndex 3
   &FinalEnergy [&Type "Double"]      -5.6513222705941061e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Dipole_Moment
   &GeometryIndex 3
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       6.6515404312743598e-01
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                     -3.8635748607664328e-05
1                                      4.1141218261580431e-07
2                                      2.0218772303383717e-01
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
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1                                     -7.6246971647542239e-07
2                                     -8.6734176527796514e-01
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      3.4277522500812457e-05
1                                     -3.5105753385961808e-07
2                                     -6.6515404224412800e-01
   &doAtomicDipole [&Type "Boolean"] false
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
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   &State [&Type "Integer"] -1
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$End
$THERMOCHEMISTRY_Energies
   &GeometryIndex 3
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   &pressure [&Type "Double"]       1.0000000000000000e+00
   &totalMass [&Type "Double"]       1.7030999999999999e+01
   &spinDegeneracy [&Type "Integer"] 1
   &elEnergy [&Type "Double"]      -5.6513222705941061e+01
   &transEnergy [&Type "Double"]       1.4162714244859817e-03
   &rotEnergy [&Type "Double"]       1.4162714244859817e-03
   &vibEnergy [&Type "Double"]       3.7688762502957580e-05
   &numOfFreqs [&Type "Integer"] 12
   &freqScalingFactor [&Type "Double"]       1.0000000000000000e+00
   &FREQ [&Type "ArrayOfDoubles", &Units "cm^-1", &Dim (12,1)] 
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6                                      1.0295530763114489e+03
7                                      1.6693381675058101e+03
8                                      1.6693852839461870e+03
9                                      3.5029954078951814e+03
10                                     3.6319020971435466e+03
11                                     3.6319558517137461e+03
   &zpe [&Type "Double"]       3.4480362971749161e-02
   &innerEnergyU [&Type "Double"]      -5.6475872111357830e+01
   &enthalpyH [&Type "Double"]      -5.6474927902315571e+01
   &qEl [&Type "Double"]       0.0000000000000000e+00
   &qRot [&Type "Double"]       5.4307184170765766e-03
   &qVib [&Type "Double"]       4.4896488872752622e-05
   &qTrans [&Type "Double"]       1.6364250539629886e-02
   &entropyS [&Type "Double"]       2.1839865445579216e-02
   &freeEnergyG [&Type "Double"]      -5.6496767767761149e+01
   &isLinear [&Type "Boolean"] false
$End
$Hessian
   &GeometryIndex 3
   &HESSIAN [&Type "ArrayOfDoubles", &Dim (12,12)] "The Hessian"
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      6.5503170494615681e-01        -3.2901174328026084e-07         7.5253464126429082e-06        -3.7672688400057730e-01         2.0780585862373734e-07         1.7409726119362273e-01        -1.3915250039507376e-01         1.3714965658802558e-01
1                                     -3.2901174328026084e-07         6.5509825025088908e-01        -6.4194048167431905e-08         1.7760041003014792e-07        -5.9980490273578331e-02        -3.1917508614991273e-08         1.3714575851107355e-01        -2.9755881543252649e-01
2                                      7.5253464126429082e-06        -6.4194048167431905e-08         2.1101419266291854e-01         1.1910058239609111e-01        -4.5883869518918572e-08        -7.0332410561887784e-02        -5.9553625039720268e-02         1.0315576680788577e-01
3                                     -3.7672688400057730e-01         1.7760041003014792e-07         1.1910058239609111e-01         4.1089649170723069e-01        -1.5511196890761678e-07        -1.3981676077313704e-01        -1.7084769112839196e-02        -2.8727667507044211e-03
4                                      2.0780585862373734e-07        -5.9980490273578331e-02        -4.5883869518918572e-08        -1.5511196890761678e-07         5.8729931975489043e-02         5.6831732797883380e-08         3.3550080055307581e-02         6.2527768369892347e-04
5                                      1.7409726119362273e-01        -3.1917508614991273e-08        -7.0332410561887784e-02        -1.3981676077313704e-01         5.6831732797883380e-08         6.9705461158407894e-02        -1.7140241505691142e-02         2.0652638856995913e-03
6                                     -1.3915250039507376e-01         1.3714575851107355e-01        -5.9553625039720268e-02        -1.7084769112839196e-02         3.3550080055307581e-02        -1.7140241505691142e-02         1.4675645527005227e-01        -1.5248637533925197e-01
7                                      1.3714965658802558e-01        -2.9755881543252649e-01         1.0315576680788577e-01        -2.8727667507044211e-03         6.2527768369892347e-04         2.0652638856995913e-03        -1.5248637533925197e-01         3.2286736616240885e-01
8                                     -8.7052924340159682e-02         1.5078553520557808e-01        -7.0340928666602132e-02         1.0358059449697688e-02        -1.3809541897206653e-02         3.1346245877940035e-04         6.9910896573559950e-02        -1.2109851896071283e-01
9                                     -1.3915232055050575e-01        -1.3714560585598265e-01        -5.9553522942244294e-02        -1.7084838593814232e-02        -3.3550123406598277e-02        -1.7140207988301980e-02         9.4808142378606797e-03         1.8210225103272717e-02
10                                    -1.3714953662589857e-01        -2.9755894454478427e-01        -1.0315566578796467e-01         2.8727349196642771e-03         6.2528061439036647e-04        -2.0652846607436201e-03        -1.8210202828471085e-02        -2.5933828413581300e-02
11                                    -8.7052821960414889e-02        -1.5078543003602471e-01        -7.0340853434428627e-02         1.0358068000855633e-02         1.3809526810163219e-02         3.1348694470049315e-04         6.7834711027119155e-03         1.5877104034095809e-02
                                                         8                           9                          10                          11

0                                     -8.7052924340159682e-02        -1.3915232055050575e-01        -1.3714953662589857e-01        -8.7052821960414889e-02
1                                      1.5078553520557808e-01        -1.3714560585598265e-01        -2.9755894454478427e-01        -1.5078543003602471e-01
2                                     -7.0340928666602132e-02        -5.9553522942244294e-02        -1.0315566578796467e-01        -7.0340853434428627e-02
3                                      1.0358059449697688e-02        -1.7084838593814232e-02         2.8727349196642771e-03         1.0358068000855633e-02
4                                     -1.3809541897206653e-02        -3.3550123406598277e-02         6.2528061439036647e-04         1.3809526810163219e-02
5                                      3.1346245877940035e-04        -1.7140207988301980e-02        -2.0652846607436201e-03         3.1348694470049315e-04
6                                      6.9910896573559950e-02         9.4808142378606797e-03        -1.8210202828471085e-02         6.7834711027119155e-03
7                                     -1.2109851896071283e-01         1.8210225103272717e-02        -2.5933828413581300e-02         1.5877104034095809e-02
8                                      6.9715510833769798e-02         6.7834671860416001e-03        -1.5877090114626961e-02         3.1195537405292670e-04
9                                      6.7834671860416001e-03         1.4675634490645931e-01         1.5248625434700680e-01         6.9910773300675993e-02
10                                    -1.5877090114626961e-02         1.5248625434700680e-01         3.2286749234397516e-01         1.2109841987755046e-01
11                                     3.1195537405292670e-04         6.9910773300675993e-02         1.2109841987755046e-01         6.9715411115675197e-02
   &MODES [&Type "ArrayOfDoubles", &Dim (12,12)] "The modes of vibrations"
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -3.8660484881344983e-06        -6.5277024411956319e-02
1                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         2.9902820060075814e-08        -4.4582149658620147e-04
2                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.0648898574255522e-01        -2.4017738829695901e-06
3                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.8670556495468982e-01        -1.3406396069325452e-01
4                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -9.4488492168690996e-08         5.0456972399037991e-03
5                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9323536254938860e-01        -2.4105492857979280e-01
6                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         9.3379683059794369e-02         5.2315260706488187e-01
7                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.6170629622854621e-01         3.7851280157491479e-01
8                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9325909910995286e-01         1.1911837223543684e-01
9                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         9.3379603860345176e-02         5.1799000535284923e-01
10                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.6170597519243463e-01        -3.7736343760183960e-01
11                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9325873605491594e-01         1.2196993099393801e-01
                                                         8                           9                          10                          11

0                                      4.4581840359328488e-04        -7.3181107520788811e-06        -7.6079886375343797e-02         4.4357751068005452e-04
1                                     -6.5274727412056394e-02         9.1302867293027065e-08        -4.4356581952583970e-04        -7.6083268379118649e-02
2                                      2.6301207639496698e-08         3.6558345740808844e-02        -3.9640592203242389e-06         6.9996942115699409e-08
3                                      9.1585878633061854e-04         5.4394333405863826e-01         7.2682189919441798e-01        -4.2370485489136196e-03
4                                      7.3878316920090281e-01        -1.8908273160563073e-07        -1.2889395771168178e-04        -2.2041281459604635e-02
5                                      1.6461434630647830e-03        -1.6934293482595042e-01        -2.8092777150941467e-01         1.6376806847815269e-03
6                                      3.7440578273243563e-01        -2.7192062321542781e-01         1.6329543566748186e-01        -3.2521357785770605e-01
7                                      8.1550583319838860e-02         4.7101487640514073e-01        -3.2116818435231231e-01         5.4153197024853761e-01
8                                     -2.0956201027907301e-01        -1.6933274775169657e-01         1.3907287509279143e-01        -2.4413477960398577e-01
9                                     -3.8151665975203125e-01        -2.7192101959588461e-01         1.6707608622881501e-01         3.2328674724779477e-01
10                                     8.6712980475958823e-02        -4.7101595605183588e-01         3.2746079501051856e-01         5.3774972806257026e-01
11                                     2.0791550133881045e-01        -1.6933299677900940e-01         1.4190998032287228e-01         2.4249612625336281e-01
$End
$Calculation_Info
   &GeometryIndex 3
   &Mult [&Type "Integer"] 1
   &Charge [&Type "Integer"] 0
   &NumOfAtoms [&Type "Integer"] 4
   &NumOfElectrons [&Type "Integer"] 10
   &NumOfBasisFuncts [&Type "Integer"] 49
   &NumOfAuxCBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJBasisFuncts [&Type "Integer"] 82
   &NumOfAuxJKBasisFuncts [&Type "Integer"] 0
   &NumOfCABSBasisFuncts [&Type "Integer"] 0
$End
$Calculation_Timings
   &GeometryIndex 3
   &GTOINT [&Type "Double"]       1.6085079999999996e+00
   &SCF [&Type "Double"]       8.8610969999999973e+00
   &SCFGRAD [&Type "Double"]       5.4838610000000001e+00
   &GSTEP [&Type "Double"]       4.9229999999994833e-03
   &PROPINT [&Type "Double"]       6.3641509999999988e+00
   &RESPONSE [&Type "Double"]       1.6563170000000014e+00
   &PROP [&Type "Double"]       2.4880816999999997e+01
   &SUM [&Type "Double"]       4.8859673999999998e+01
$End
