*************************************************
******************* 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
$Geometry
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   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000000000000    0.000000000000    0.000000000000
              H      1.785791196556    0.000000000000    0.000000000000
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              H     -0.892895598278   -1.546540542117    0.000000000000
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$SCF_Mulliken_Population_Analysis
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   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
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2                                      2.3571113547105393e-01
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   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
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$End
$SCF_Loewdin_Population_Analysis
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   &AtomicCharges [&Type "ArrayOfDoubles", &Dim (4,1)] 
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0                                     -3.1591726914104612e-01
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2                                      1.0530587734203256e-01
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   &Method [&Type "String"] "SCF"
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$End
$SCF_Mayer_Population_Analysis
   &GeometryIndex 1
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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

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1                                                        0                           7                           2                           1
2                                                        0                           7                           3                           1
   &BondOrders [&Type "ArrayOfDoubles", &Dim (3,1)] "The bond orders"
                                                         0

0                                      9.5472684240901884e-01
1                                      9.5472193235342884e-01
2                                      9.5472193139848649e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (4,1)] "Atomic number of the elements"
                                                         0

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

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   &ZA [&Type "ArrayOfDoubles", &Dim (4,1)] "Total nuclear charge"
                                                         0

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   &QA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mulliken gross atomic charge"
                                                         0

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   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

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   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

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   &Method [&Type "String"] "SCF"
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$End
$SCF_Energy
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   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

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$DFT_Energy
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$End
$SCF_Timings
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   &INT_DENSIO [&Type "Double"]       1.6543750238000019e+04
   &INT_FUNC [&Type "Double"]       2.6149500000001141e-01
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   &SPLITRIJ [&Type "Double"]       1.3240699999999958e-01
   &COSX [&Type "Double"]       2.6378410000000003e+00
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -5.6497758638070309e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
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   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.0078857578868697e-01
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
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0                                     -7.1488276230382613e-07
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2                                     -2.5509451197429077e-09
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4                                     -7.7334960697334711e-11
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8                                      1.6838367100045800e-09
9                                      2.9095598211280591e-02
10                                     5.0393934213984748e-02
11                                     8.0271726031293451e-10
   &Method [&Type "String"] "SCF"
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$End
$THERMOCHEMISTRY_Energies
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$Hessian
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8                                      6.7082159132170043e-10        -1.9791415014674518e-09         4.8251091548045251e-02        -4.1881877226219081e-10        -5.4806853724279824e-11        -5.2219710181779632e-03        -1.0437511831591412e-09         8.5044677103876636e-10
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   &SOSCF [&Type "Double"]       2.0900000000005914e-03
   &XC [&Type "Double"]       1.1511449999999996e+00
   &FOCKSTART [&Type "Double"]       5.3400000000010384e-04
   &INT_BF [&Type "Double"]       4.8105500000001045e-01
   &INT_DENS [&Type "Double"]       1.7747799999999975e-01
   &INT_DENSIO [&Type "Double"]       8.9457385370000047e+03
   &INT_FUNC [&Type "Double"]       1.9451699999998184e-01
   &INT_POT [&Type "Double"]       2.4098199999999603e-01
   &INT_POTIO [&Type "Double"]       1.5189000000012609e-02
   &INT_SUM [&Type "Double"]       1.0000000000287557e-06
   &SPLITRIJ [&Type "Double"]       5.3648999999999877e-02
   &COSX [&Type "Double"]       1.9685290000000000e+00
$End
$Single_Point_Data
   &GeometryIndex 2
   &FinalEnergy [&Type "Double"]      -5.6505591217427053e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.4049715420572853e-02
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      1.1827516249317989e-06
1                                     -1.8616903155883023e-09
2                                      2.2909677514837413e-09
3                                     -8.1116233374152469e-03
4                                      2.3025986856211487e-10
5                                     -5.1952205354148168e-10
6                                      4.0552203461965003e-03
7                                     -7.0251840793801590e-03
8                                     -9.0560278524425501e-10
9                                      4.0552202351857719e-03
10                                     7.0251857107715143e-03
11                                    -8.6582715497770825e-10
   &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     -0.000001076268   -0.000000000474   -0.000000001645
              H      1.880453947497    0.000000001139    0.000000000548
              H     -0.940226434765    1.628523781613    0.000000000548
              H     -0.940226436465   -1.628523782279    0.000000000548
$End
$SCF_Energy
   &GeometryIndex 3
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6505772393928339e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 3
   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
   &nTotalEl [&Type "Integer"] 10
   &finalEn [&Type "Double"]      -5.6505772393928339e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7404781996565424e+00
   &eCorr [&Type "Double"]      -3.1718937589602469e-01
   &eXC [&Type "Double"]      -6.0576675755525669e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 3
   &TOTAL [&Type "Double"]       2.8252770000000003e+00
   &PREP [&Type "Double"]       6.2340000000000000e-02
   &FOCK [&Type "Double"]       2.4660400000000000e+00
   &DENS [&Type "Double"]       1.4060000000002404e-03
   &ETOT [&Type "Double"]       3.7000000000048106e-04
   &TRAFO [&Type "Double"]       1.3180000000000414e-03
   &DIIS [&Type "Double"]       2.0199999999999663e-03
   &SOSCF [&Type "Double"]       2.5209999999997734e-03
   &XC [&Type "Double"]       8.9367200000000024e-01
   &FOCKSTART [&Type "Double"]       4.8600000000044441e-04
   &INT_BF [&Type "Double"]       3.7173300000000631e-01
   &INT_DENS [&Type "Double"]       1.3881100000000846e-01
   &INT_DENSIO [&Type "Double"]       6.3128965039999985e+03
   &INT_FUNC [&Type "Double"]       1.5171400000001029e-01
   &INT_POT [&Type "Double"]       1.8775700000000156e-01
   &INT_POTIO [&Type "Double"]       1.1604000000001002e-02
   &INT_SUM [&Type "Double"]       1.9999999998909779e-06
   &SPLITRIJ [&Type "Double"]       4.1326000000000168e-02
   &COSX [&Type "Double"]       1.8520099999999999e+00
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$Single_Point_Data
   &GeometryIndex 3
   &FinalEnergy [&Type "Double"]      -5.6505772393928339e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 3
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       2.0664283100908535e-03
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                     -2.7130556092749017e-07
1                                      1.7696387408824270e-09
2                                      6.9613916405465420e-11
3                                     -1.1932738260034270e-03
4                                     -5.7967616474376166e-10
5                                     -6.5250612416306099e-10
6                                      5.9677275014760611e-04
7                                     -1.0329450459971856e-03
8                                      4.6860310199629409e-11
9                                      5.9677237721073029e-04
10                                     1.0329438560437720e-03
11                                     5.3603246072556877e-10
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
   &Irrep [&Type "Integer"] 0
$End
$Geometry
   &GeometryIndex 4
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000001631203   -0.000000004546   -0.000000000911
              H      1.882731313435    0.000000006539    0.000000000304
              H     -0.941366467968    1.630490280966    0.000000000304
              H     -0.941366476670   -1.630490282959    0.000000000304
$End
$SCF_Energy
   &GeometryIndex 4
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6505776639034750e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 4
   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
   &nTotalEl [&Type "Integer"] 10
   &finalEn [&Type "Double"]      -5.6505776639034750e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7393252634060650e+00
   &eCorr [&Type "Double"]      -3.1712789847136763e-01
   &eXC [&Type "Double"]      -6.0564531618774327e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 4
   &TOTAL [&Type "Double"]       2.5345640000000000e+00
   &PREP [&Type "Double"]       6.2664999999999998e-02
   &FOCK [&Type "Double"]       2.1884600000000001e+00
   &DENS [&Type "Double"]       1.0500000000002174e-03
   &ETOT [&Type "Double"]       3.1999999999998696e-04
   &TRAFO [&Type "Double"]       6.6300000000030224e-04
   &DIIS [&Type "Double"]       7.5800000000003642e-04
   &SOSCF [&Type "Double"]       2.4859999999999882e-03
   &XC [&Type "Double"]       7.6077900000000054e-01
   &FOCKSTART [&Type "Double"]       4.5300000000006446e-04
   &INT_BF [&Type "Double"]       3.1704500000000768e-01
   &INT_DENS [&Type "Double"]       1.1879100000000120e-01
   &INT_DENSIO [&Type "Double"]       4.9966209729999955e+03
   &INT_FUNC [&Type "Double"]       1.3194999999999879e-01
   &INT_POT [&Type "Double"]       1.5573899999999918e-01
   &INT_POTIO [&Type "Double"]       9.8209999999962494e-03
   &INT_SUM [&Type "Double"]       2.9999999998642224e-06
   &SPLITRIJ [&Type "Double"]       3.5546000000000036e-02
   &COSX [&Type "Double"]       1.7030479999999999e+00
$End
$Single_Point_Data
   &GeometryIndex 4
   &FinalEnergy [&Type "Double"]      -5.6505776639034750e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 4
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       5.3164727644885312e-05
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      4.2669760897638661e-07
1                                     -1.4664200747963295e-09
2                                      6.1602597774236207e-10
3                                     -3.0727905764249552e-05
4                                      1.0805286695237159e-09
5                                      4.6276845826014119e-10
6                                      1.5151855866105124e-05
7                                     -2.6673956628614492e-05
8                                     -6.1399429718081182e-10
9                                      1.5149348174425814e-05
10                                     2.6674342522764460e-05
11                                    -4.6475079361092340e-10
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
   &Irrep [&Type "Integer"] 0
$End
$Geometry
   &GeometryIndex 5
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000000030372    0.000000004645    0.000000002646
              H      1.882788381184   -0.000000008920   -0.000000000882
              H     -0.941394212162    1.630542676345   -0.000000000882
              H     -0.941394199394   -1.630542672070   -0.000000000882
$End
$SCF_Mulliken_Population_Analysis
   &GeometryIndex 5
   &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                                     -7.5073494996545520e-01
1                                      2.5024171197561251e-01
2                                      2.5024662114496832e-01
3                                      2.5024661684489558e-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 5
   &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                                     -3.8624116776444950e-01
1                                      1.2874718435239030e-01
2                                      1.2874699239667664e-01
3                                      1.2874699101540465e-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 5
   &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                                      9.3901083332514179e-01
1                                      9.3900895534321116e-01
2                                      9.3900895745989876e-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                                      7.7507349499654481e+00
1                                      7.4975828802438726e-01
2                                      7.4975337885503135e-01
3                                      7.4975338315510487e-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                                     -7.5073494996544810e-01
1                                      2.5024171197561274e-01
2                                      2.5024662114496865e-01
3                                      2.5024661684489513e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8170287461282419e+00
1                                      9.4868157229536154e-01
2                                      9.4867969176686795e-01
3                                      9.4867969357432524e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8170287461282517e+00
1                                      9.4868157229535843e-01
2                                      9.4867969176686773e-01
3                                      9.4867969357431192e-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 5
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6505778107562236e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 5
   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
   &nTotalEl [&Type "Integer"] 10
   &finalEn [&Type "Double"]      -5.6505778107562236e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7392956199800098e+00
   &eCorr [&Type "Double"]      -3.1712631601044705e-01
   &eXC [&Type "Double"]      -6.0564219359904570e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 5
   &TOTAL [&Type "Double"]       1.9385420000000000e+00
   &PREP [&Type "Double"]       7.0879999999999999e-02
   &FOCK [&Type "Double"]       1.5670860000000000e+00
   &DENS [&Type "Double"]       5.7100000000009921e-04
   &ETOT [&Type "Double"]       2.4500000000005073e-04
   &POP [&Type "Double"]       7.4939999999998896e-03
   &TRAFO [&Type "Double"]       6.7600000000034299e-04
   &DIIS [&Type "Double"]       7.2300000000002917e-04
   &SOSCF [&Type "Double"]       1.6689999999998095e-03
   &XC [&Type "Double"]       5.0914300000000012e-01
   &FOCKSTART [&Type "Double"]       4.1499999999988768e-04
   &INT_BF [&Type "Double"]       2.1337899999999022e-01
   &INT_DENS [&Type "Double"]       7.9066000000001413e-02
   &INT_DENSIO [&Type "Double"]       2.5270930589999966e+03
   &INT_FUNC [&Type "Double"]       8.6695999999997775e-02
   &INT_POT [&Type "Double"]       1.0555700000000923e-01
   &INT_POTIO [&Type "Double"]       6.1849999999961103e-03
   &INT_SUM [&Type "Double"]       1.0000000000287557e-06
   &SPLITRIJ [&Type "Double"]       2.5293000000000149e-02
   &COSX [&Type "Double"]       1.3707780000000001e+00
$End
$Single_Point_Data
   &GeometryIndex 5
   &FinalEnergy [&Type "Double"]      -5.6505778107562236e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Dipole_Moment
   &GeometryIndex 5
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       3.1846362458342890e-06
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      3.2342145730081956e-06
1                                      5.3468361699976485e-09
2                                     -1.0405108782680980e-09
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                     -4.9583622430127150e-08
1                                     -7.5824810874536297e-09
2                                     -4.3194138923013491e-09
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      3.1846309505780684e-06
1                                     -2.2356449174559812e-09
2                                     -5.3599247705694470e-09
   &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
$THERMOCHEMISTRY_Energies
   &GeometryIndex 5
   &temperature [&Type "Double"]       2.9814999999999998e+02
   &pressure [&Type "Double"]       1.0000000000000000e+00
   &totalMass [&Type "Double"]       1.7030999999999999e+01
   &spinDegeneracy [&Type "Integer"] 1
   &elEnergy [&Type "Double"]      -5.6505778107562236e+01
   &transEnergy [&Type "Double"]       1.4162714244859817e-03
   &rotEnergy [&Type "Double"]       1.4162714244859817e-03
   &vibEnergy [&Type "Double"]       7.2082385607862498e-06
   &numOfFreqs [&Type "Integer"] 12
   &freqScalingFactor [&Type "Double"]       1.0000000000000000e+00
   &FREQ [&Type "ArrayOfDoubles", &Units "cm^-1", &Dim (12,1)] 
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
3                                      0.0000000000000000e+00
4                                      0.0000000000000000e+00
5                                      0.0000000000000000e+00
6                                     -8.0573945746879963e+02
7                                      1.5742269720317101e+03
8                                      1.5742418214056711e+03
9                                      3.6528848810947607e+03
10                                     3.8578798622580071e+03
11                                     3.8578934875055384e+03
   &zpe [&Type "Double"]       3.3072448860633860e-02
   &innerEnergyU [&Type "Double"]      -5.6469865907614057e+01
   &enthalpyH [&Type "Double"]      -5.6468921698571798e+01
   &qEl [&Type "Double"]       0.0000000000000000e+00
   &qRot [&Type "Double"]       4.7207192832464931e-03
   &qVib [&Type "Double"]       8.1576512772461732e-06
   &qTrans [&Type "Double"]       1.6364250539629886e-02
   &entropyS [&Type "Double"]       2.1093127474153626e-02
   &freeEnergyG [&Type "Double"]      -5.6490014826045950e+01
   &isLinear [&Type "Boolean"] false
$End
$Hessian
   &GeometryIndex 5
   &HESSIAN [&Type "ArrayOfDoubles", &Dim (12,12)] "The Hessian"
                                                         0                           1                           2                           3                           4                           5                           6                           7

0                                      8.5163453329629002e-01        -7.7988442509502320e-09        -2.6848325744133442e-09        -4.9806946128819835e-01         3.8762363350349473e-10         3.5574953663555324e-10        -1.7678254024244436e-01         1.8549991736511595e-01
1                                     -7.7988442509502320e-09         8.5163749579029557e-01        -1.6913630508599662e-08         2.0008221366980254e-08        -6.9682298342138210e-02        -2.3470483996678842e-10         1.8549830378665549e-01        -3.9097758724227816e-01
2                                     -2.6848325744133442e-09        -1.6913630508599662e-08        -6.1103702259685581e-02         4.4266456967700103e-09        -2.0091847931079796e-10         2.0369885177171795e-02        -9.4241223972309929e-09         1.6934461374923721e-08
3                                     -4.9806946128819835e-01         2.0008221366980254e-08         4.4266456967700103e-09         5.1279102485429151e-01        -8.7010403582686580e-09        -2.3502338825218363e-09        -7.3607809785744063e-03        -6.4371177066007979e-03
4                                      3.8762363350349473e-10        -6.9682298342138210e-02        -2.0091847931079796e-10        -8.7010403582686580e-09         5.7532196336527876e-02         5.8239825817395607e-10         2.9708777340126905e-02         6.0750513764559356e-03
5                                      3.5574953663555324e-10        -2.3470483996678842e-10         2.0369885177171795e-02        -2.3502338825218363e-09         5.8239825817395607e-10        -6.7917519804884061e-03        -7.5263600107751536e-11         2.1401258104691900e-09
6                                     -1.7678254024244436e-01         1.8549830378665549e-01        -9.4241223972309929e-09        -7.3607809785744063e-03         2.9708777340126905e-02        -7.5263600107751536e-11         1.7135001273745312e-01        -1.9713494257876774e-01
7                                      1.8549991736511595e-01        -3.9097758724227816e-01         1.6934461374923721e-08        -6.4371177066007979e-03         6.0750513764559356e-03         2.1401258104691900e-09        -1.9713494257876774e-01         3.9898191667882926e-01
8                                     -2.2108748560056531e-10         4.1713977321139165e-10         2.0366908892839250e-02         2.5097401345832353e-10        -3.5583230384688407e-11        -6.7890669848654868e-03         5.1622401286425603e-09        -8.8313230710530562e-09
9                                     -1.7678253176564723e-01        -1.8549831637202752e-01         1.0778590904613034e-08        -7.3607825875187313e-03        -2.9708778750382935e-02         2.7741026606521793e-11         1.2793308483565623e-02         1.8072949494792948e-02
10                                    -1.8549990957790041e-01        -3.9097761020587918e-01         1.7593518527716164e-08         6.4371161230925428e-03         6.0750506291543990e-03        -2.5962707528074452e-09        -1.8072945122555008e-02        -1.4079380813007032e-02
11                                    -5.4611110636035172e-10        -6.8223533937436715e-10         2.0366908189674536e-02        -2.8537890831898526e-10        -2.3744502434738211e-10        -6.7890662118179016e-03         1.0877012291905617e-10        -4.2379618465753491e-10
                                                         8                           9                          10                          11

0                                     -2.2108748560056531e-10        -1.7678253176564723e-01        -1.8549990957790041e-01        -5.4611110636035172e-10
1                                      4.1713977321139165e-10        -1.8549831637202752e-01        -3.9097761020587918e-01        -6.8223533937436715e-10
2                                      2.0366908892839250e-02         1.0778590904613034e-08         1.7593518527716164e-08         2.0366908189674536e-02
3                                      2.5097401345832353e-10        -7.3607825875187313e-03         6.4371161230925428e-03        -2.8537890831898526e-10
4                                     -3.5583230384688407e-11        -2.9708778750382935e-02         6.0750506291543990e-03        -2.3744502434738211e-10
5                                     -6.7890669848654868e-03         2.7741026606521793e-11        -2.5962707528074452e-09        -6.7890662118179016e-03
6                                      5.1622401286425603e-09         1.2793308483565623e-02        -1.8072945122555008e-02         1.0877012291905617e-10
7                                     -8.8313230710530562e-09         1.8072949494792948e-02        -1.4079380813007032e-02        -4.2379618465753491e-10
8                                     -6.7879770016394036e-03        -9.6375091072318998e-10        -1.3697014014559679e-09        -6.7898649063343587e-03
9                                     -9.6375091072318998e-10         1.7135000586960034e-01         1.9713494210249016e-01        -4.5599305643680422e-09
10                                    -1.3697014014559679e-09         1.9713494210249016e-01         3.9898194038973178e-01        -6.1420349125367337e-09
11                                    -6.7898649063343587e-03        -4.5599305643680422e-09        -6.1420349125367337e-09        -6.7879770715222757e-03
   &MODES [&Type "ArrayOfDoubles", &Dim (12,12)] "The modes of vibrations"
                                                         0                           1                           2                           3                           4                           5                           6                           7

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3                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         2.9666730266356440e-09         3.8835519503565076e-06
4                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -6.4966686235248384e-09        -7.7616923974096008e-01
5                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         5.2150876873094965e-01        -4.1913343267625866e-09
6                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.0780389523850386e-08        -3.6247251921157364e-01
7                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         6.2210516124379995e-09        -1.4843455904902461e-01
8                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         5.2150873805150333e-01        -3.0307315644044417e-09
9                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         6.9463847521473625e-09         3.6239982814798916e-01
10                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.1489287073377794e-08        -1.4838806466165480e-01
11                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         5.2150873210947224e-01        -5.3521944733746837e-09
                                                         8                           9                          10                          11

0                                     -7.7216791090374617e-02         5.1612803112329589e-06        -8.1938893377002039e-02         4.0528210453823519e-05
1                                      4.9502236495158610e-06         1.0908907816702068e-08         4.0529563558621445e-05         8.1938879709437779e-02
2                                     -4.9140376902161948e-10        -2.0989748774793348e-11         3.7640265478858727e-10        -1.9617488825977282e-09
3                                     -6.0841525531833487e-02        -5.7510327570950770e-01         7.7388721297590135e-01        -3.8269663517637615e-04
4                                     -4.9767105649610506e-05         1.8581694143642440e-08         7.3372419388883064e-06         1.4850702053765196e-02
5                                      9.3585448118093984e-10         9.7310670219313029e-11        -3.1657380766425732e-09         9.0874157008616285e-09
6                                      5.6689334938902813e-01         2.8751583756096566e-01         1.8252993506975906e-01         3.4145895160274720e-01
7                                      3.6242667603630191e-01        -4.9799058152947701e-01        -3.4186569922624332e-01        -5.7656082481608406e-01
8                                      2.9463796054170307e-09         9.7179882174542066e-11        -1.0317360378238288e-09         1.0318077277596218e-08
9                                      5.6693983566946982e-01         2.8751571785755065e-01         1.8219205783893089e-01        -3.4163942822533544e-01
10                                    -3.6244569641344876e-01         4.9799041135941802e-01         3.4129516992402120e-01        -5.7689889320007726e-01
11                                     2.9462307700162322e-09         9.7179507285327914e-11        -1.0329544408615572e-09         7.8546425785139258e-09
$End
$Calculation_Info
   &GeometryIndex 5
   &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 5
   &GTOINT [&Type "Double"]       2.7056409999999920e+00
   &SCF [&Type "Double"]       1.5675229999999999e+01
   &SCFGRAD [&Type "Double"]       1.1365676999999991e+01
   &GSTEP [&Type "Double"]       1.0911000000003439e-02
   &PROPINT [&Type "Double"]       6.3978469999999872e+00
   &RESPONSE [&Type "Double"]       1.2883570000000049e+00
   &PROP [&Type "Double"]       2.4477436999999995e+01
   &SUM [&Type "Double"]       6.1921099999999974e+01
$End
