*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
   &GeometryIndex 3
   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "LeanSCF"
   &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"] 
              N     -0.000348042486   -0.000001275313   -0.384286288857
              H      1.778907679842    0.000000071690    0.323430215697
              H     -0.889280127014    1.540306497975    0.323353774981
              H     -0.889279510617   -1.540305290154    0.323353442883
$End
$SCF_Mulliken_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                                     -7.0164650619634283e-01
1                                      2.3390009958541580e-01
2                                      2.3387326842884404e-01
3                                      2.3387313818208066e-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 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                                     -3.9668883277192357e-01
1                                      1.3236224907171334e-01
2                                      1.3216371324263443e-01
3                                      1.3216287045755881e-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                                      9.4370990785984077e-01
1                                      9.4373664438738314e-01
2                                      9.4373676818501173e-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                                      7.7016465061963455e+00
1                                      7.6609990041458365e-01
2                                      7.6612673157115618e-01
3                                      7.6612686181791889e-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                                     -7.0164650619634550e-01
1                                      2.3390009958541635e-01
2                                      2.3387326842884382e-01
3                                      2.3387313818208111e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8311833204322308e+00
1                                      9.4600752748956729e-01
2                                      9.4604069563095150e-01
3                                      9.4604084882722295e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8311833204322356e+00
1                                      9.4600752748957295e-01
2                                      9.4604069563094717e-01
3                                      9.4604084882722617e-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                                     -5.6513217598080246e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
   &GeometryIndex 1
   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
   &nTotalEl [&Type "Integer"] 10
   &finalEn [&Type "Double"]      -5.6513217598080246e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7308301323672497e+00
   &eCorr [&Type "Double"]      -3.1635067197015726e-01
   &eXC [&Type "Double"]      -6.0471808043374073e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       4.1047649999999996e+00
   &PREP [&Type "Double"]       5.9360999999999997e-02
   &FOCK [&Type "Double"]       3.7480430000000000e+00
   &DENS [&Type "Double"]       2.9270000000001239e-03
   &ETOT [&Type "Double"]       6.2499999999970912e-04
   &POP [&Type "Double"]       1.2929999999995445e-03
   &TRAFO [&Type "Double"]       4.0749999999998288e-03
   &DIIS [&Type "Double"]       8.3100000000000396e-03
   &SOSCF [&Type "Double"]       3.1610000000004135e-03
   &XC [&Type "Double"]       1.5130790000000003e+00
   &FOCKSTART [&Type "Double"]       6.1299999999968324e-04
   &INT_BF [&Type "Double"]       6.3562900000000222e-01
   &INT_DENS [&Type "Double"]       2.3438399999999648e-01
   &INT_DENSIO [&Type "Double"]       1.5225492162000022e+04
   &INT_FUNC [&Type "Double"]       2.4829100000000925e-01
   &INT_POT [&Type "Double"]       3.1350400000000050e-01
   &INT_POTIO [&Type "Double"]       2.1178999999991177e-02
   &INT_SUM [&Type "Double"]       5.0000000006988898e-06
   &SPLITRIJ [&Type "Double"]       6.8671000000000565e-02
   &COSX [&Type "Double"]       2.4533190000000000e+00
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -5.6513217598080246e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.2104677070386438e-03
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                     -3.6341755349378769e-04
1                                     -1.3279703389459914e-06
2                                     -3.6408739207402507e-04
3                                      8.2100454757116914e-04
4                                      6.6154633824075831e-08
5                                      2.1704236275849054e-04
6                                     -2.2911867839059408e-04
7                                      4.2720871773394009e-04
8                                      7.3828808759418552e-05
9                                     -2.2846831787318167e-04
10                                    -4.2594690203662244e-04
11                                     7.3216216497237752e-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     -0.000063237975   -0.000000257695   -0.384639902506
              H      1.776911839351    0.000000512229    0.323472434049
              H     -0.888423933736    1.539017585261    0.323509238539
              H     -0.888424667915   -1.539017835597    0.323509374622
$End
$SCF_Energy
   &GeometryIndex 2
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513219035020022e+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"]      -5.6513219035020022e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7315279375888499e+00
   &eCorr [&Type "Double"]      -3.1639154054552909e-01
   &eXC [&Type "Double"]      -6.0479194781343786e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 2
   &TOTAL [&Type "Double"]       2.5167279999999996e+00
   &PREP [&Type "Double"]       6.1219999999999997e-02
   &FOCK [&Type "Double"]       2.1611349999999998e+00
   &DENS [&Type "Double"]       1.0710000000002662e-03
   &ETOT [&Type "Double"]       3.3400000000016750e-04
   &TRAFO [&Type "Double"]       7.1500000000002117e-04
   &DIIS [&Type "Double"]       7.3000000000000842e-04
   &SOSCF [&Type "Double"]       2.7379999999997962e-03
   &XC [&Type "Double"]       7.4611900000000009e-01
   &FOCKSTART [&Type "Double"]       4.4000000000007228e-04
   &INT_PREP [&Type "Double"]       1.0000000000287557e-06
   &INT_BF [&Type "Double"]       3.1367300000001008e-01
   &INT_DENS [&Type "Double"]       1.1741699999999494e-01
   &INT_DENSIO [&Type "Double"]       4.9436094279999952e+03
   &INT_FUNC [&Type "Double"]       1.2418299999999494e-01
   &INT_POT [&Type "Double"]       1.5264000000000022e-01
   &INT_POTIO [&Type "Double"]       9.9110000000006138e-03
   &INT_SUM [&Type "Double"]       2.0000000001685336e-06
   &SPLITRIJ [&Type "Double"]       3.4801999999999819e-02
   &COSX [&Type "Double"]       1.7005619999999999e+00
$End
$Single_Point_Data
   &GeometryIndex 2
   &FinalEnergy [&Type "Double"]      -5.6513219035020022e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       1.9759340762421680e-04
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      2.0388465975633576e-06
1                                     -6.6731013274396626e-09
2                                      1.3993682677054808e-04
3                                     -8.1466061549545499e-05
4                                      6.9877245292465203e-08
5                                     -4.7853864072022745e-05
6                                      3.9771590807646806e-05
7                                     -3.9629453992495733e-05
8                                     -4.6039626029587000e-05
9                                      3.9655621945133834e-05
10                                     3.9566249851741286e-05
11                                    -4.6043340809168165e-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     -0.000044882902   -0.000000176737   -0.384815403585
              H      1.777035738794    0.000000250072    0.323526050411
              H     -0.888495264659    1.539024849138    0.323570162256
              H     -0.888495591509   -1.539024918275    0.323570335623
$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                                     -7.0104152962204136e-01
1                                      2.3367391026102569e-01
2                                      2.3368379247831406e-01
3                                      2.3368382688273392e-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                                     -3.9595874197219771e-01
1                                      1.3198552145630160e-01
2                                      1.3198660875738988e-01
3                                      1.3198661175854576e-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 3
   &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                                      9.4391426543262846e-01
1                                      9.4390800328345525e-01
2                                      9.4390798057663594e-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                                      7.7010415296220369e+00
1                                      7.6632608973897376e-01
2                                      7.6631620752168583e-01
3                                      7.6631617311726552e-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                                     -7.0104152962203692e-01
1                                      2.3367391026102624e-01
2                                      2.3368379247831417e-01
3                                      2.3368382688273448e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8317302492927694e+00
1                                      9.4616484075083473e-01
2                                      9.4616119932294884e-01
3                                      9.4616119029571910e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8317302492927197e+00
1                                      9.4616484075083218e-01
2                                      9.4616119932293863e-01
3                                      9.4616119029571399e-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 3
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513222707274991e+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"]      -5.6513222707274991e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7314567450958549e+00
   &eCorr [&Type "Double"]      -3.1638745027380538e-01
   &eXC [&Type "Double"]      -6.0478441953696604e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 3
   &TOTAL [&Type "Double"]       1.8427690000000001e+00
   &PREP [&Type "Double"]       6.0780999999999995e-02
   &FOCK [&Type "Double"]       1.4811709999999998e+00
   &DENS [&Type "Double"]       6.0199999999999143e-04
   &ETOT [&Type "Double"]       2.5600000000014500e-04
   &POP [&Type "Double"]       4.2320000000000135e-03
   &TRAFO [&Type "Double"]       7.2700000000014420e-04
   &DIIS [&Type "Double"]       7.1599999999999442e-04
   &SOSCF [&Type "Double"]       1.6580000000000483e-03
   &XC [&Type "Double"]       5.0115299999999963e-01
   &FOCKSTART [&Type "Double"]       3.8100000000002021e-04
   &INT_PREP [&Type "Double"]       9.9999999997324451e-07
   &INT_BF [&Type "Double"]       2.0946699999999924e-01
   &INT_DENS [&Type "Double"]       7.8872000000000997e-02
   &INT_DENSIO [&Type "Double"]       2.4025894859999953e+03
   &INT_FUNC [&Type "Double"]       8.3648000000000222e-02
   &INT_POT [&Type "Double"]       1.0461900000000024e-01
   &INT_POTIO [&Type "Double"]       6.2659999999992722e-03
   &INT_SUM [&Type "Double"]       9.9999999997324451e-07
   &SPLITRIJ [&Type "Double"]       2.3088999999999991e-02
   &COSX [&Type "Double"]       1.2880459999999998e+00
$End
$Single_Point_Data
   &GeometryIndex 3
   &FinalEnergy [&Type "Double"]      -5.6513222707274991e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Dipole_Moment
   &GeometryIndex 3
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       6.6515274861149298e-01
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                     -3.8819004614766735e-05
1                                     -1.5480058008035015e-07
2                                     -2.0218673840162146e-01
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                      7.3273576853272182e-05
1                                      2.9024523673371050e-07
2                                      8.6733948612073608e-01
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                      3.4454572238505447e-05
1                                      1.3544465665336035e-07
2                                      6.6515274771911459e-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
$THERMOCHEMISTRY_Energies
   &GeometryIndex 3
   &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"]      -5.6513222707274991e+01
   &transEnergy [&Type "Double"]       1.4162714244859817e-03
   &rotEnergy [&Type "Double"]       1.4162714244859817e-03
   &vibEnergy [&Type "Double"]       3.7689200584794093e-05
   &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                                      1.0295497076780352e+03
7                                      1.6693376811405087e+03
8                                      1.6693850132843813e+03
9                                      3.5029968914754722e+03
10                                     3.6319039714241344e+03
11                                     3.6319578292420524e+03
   &zpe [&Type "Double"]       3.4480365727713840e-02
   &innerEnergyU [&Type "Double"]      -5.6475872109497715e+01
   &enthalpyH [&Type "Double"]      -5.6474927900455455e+01
   &qEl [&Type "Double"]       0.0000000000000000e+00
   &qRot [&Type "Double"]       5.4307179815038216e-03
   &qVib [&Type "Double"]       4.4897035884294167e-05
   &qTrans [&Type "Double"]       1.6364250539629886e-02
   &entropyS [&Type "Double"]       2.1839865557018001e-02
   &freeEnergyG [&Type "Double"]      -5.6496767766012475e+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                                      6.5503266201945431e-01         1.1567896751607520e-07        -7.5411145532590373e-06        -3.7672760458179033e-01        -8.0409090401074254e-08        -1.7409711300374076e-01        -1.3915249859358206e-01         1.3714983063996131e-01
1                                      1.1567896751607520e-07         6.5509946026757038e-01        -2.0958196775278104e-08        -6.6076321826043883e-08        -5.9980514775882864e-02        -1.1975896814838036e-08         1.3714589258855908e-01        -2.9755950265058756e-01
2                                     -7.5411145532590373e-06        -2.0958196775278104e-08         2.1101319786516995e-01        -1.1910049714591417e-01        -2.0746200060350744e-08        -7.0332054014953072e-02         5.9553518649020976e-02        -1.0315566886760626e-01
3                                     -3.7672760458179033e-01        -6.6076321826043883e-08        -1.1910049714591417e-01         4.1089714351278955e-01         6.0469414428195381e-08         1.3981663847440068e-01        -1.7084782379486105e-02        -2.8727599848441740e-03
4                                     -8.0409090401074254e-08        -5.9980514775882864e-02        -2.0746200060350744e-08         6.0469414428195381e-08         5.8729914105591627e-02         2.3958998921543712e-08         3.3550105138524258e-02         6.2530151816249727e-04
5                                     -1.7409711300374076e-01        -1.1975896814838036e-08        -7.0332054014953072e-02         1.3981663847440068e-01         2.3958998921543712e-08         6.9705140122788556e-02         1.7140206377877679e-02        -2.0652703695934090e-03
6                                     -1.3915249859358206e-01         1.3714589258855908e-01         5.9553518649020976e-02        -1.7084782379486105e-02         3.3550105138524258e-02         1.7140206377877679e-02         1.4675645686650615e-01        -1.5248653904086973e-01
7                                      1.3714983063996131e-01        -2.9755950265058756e-01        -1.0315566886760626e-01        -2.8727599848441740e-03         6.2530151816249727e-04        -2.0652703695934090e-03        -1.5248653904086973e-01         3.2286795251606198e-01
8                                      8.7052789390956703e-02        -1.5078537701992112e-01        -7.0340559771015429e-02        -1.0358047874859846e-02         1.3809516999049153e-02         3.1346120611991206e-04        -6.9910754028888605e-02         1.2109839733267314e-01
9                                     -1.3915255884408195e-01        -1.3714594483253456e-01         5.9553556692487165e-02        -1.7084756551513071e-02        -3.3550090151828221e-02         1.7140218340981402e-02         9.4808241065620011e-03         1.8210219748306104e-02
10                                    -1.3714986326850861e-01        -2.9755944284109992e-01         1.0315570181004032e-01         2.8727705447315066e-03         6.2529915212873686e-04         2.0652608476777086e-03        -1.8210210048767123e-02        -2.5933751383636901e-02
11                                     8.7052827646296599e-02         1.5078541871597748e-01        -7.0340584079201435e-02        -1.0358043643145631e-02        -1.3809522673034421e-02         3.1345268604460880e-04        -6.7834747002802811e-03        -1.5877079786310717e-02
                                                         8                           9                          10                          11

0                                      8.7052789390956703e-02        -1.3915255884408195e-01        -1.3714986326850861e-01         8.7052827646296599e-02
1                                     -1.5078537701992112e-01        -1.3714594483253456e-01        -2.9755944284109992e-01         1.5078541871597748e-01
2                                     -7.0340559771015429e-02         5.9553556692487165e-02         1.0315570181004032e-01        -7.0340584079201435e-02
3                                     -1.0358047874859846e-02        -1.7084756551513071e-02         2.8727705447315066e-03        -1.0358043643145631e-02
4                                      1.3809516999049153e-02        -3.3550090151828221e-02         6.2529915212873686e-04        -1.3809522673034421e-02
5                                      3.1346120611991206e-04         1.7140218340981402e-02         2.0652608476777086e-03         3.1345268604460880e-04
6                                     -6.9910754028888605e-02         9.4808241065620011e-03        -1.8210210048767123e-02        -6.7834747002802811e-03
7                                      1.2109839733267314e-01         1.8210219748306104e-02        -2.5933751383636901e-02        -1.5877079786310717e-02
8                                      6.9715170450629221e-02        -6.7834837849380207e-03         1.5877084379036063e-02         3.1192811426630079e-04
9                                     -6.7834837849380207e-03         1.4675649128903301e-01         1.5248655900430047e-01        -6.9910800275700624e-02
10                                     1.5877084379036063e-02         1.5248655900430047e-01         3.2286789507260810e-01        -1.2109843164669321e-01
11                                     3.1192811426630079e-04        -6.9910800275700624e-02        -1.2109843164669321e-01         6.9715203278890525e-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        -3.8809428082529950e-06         6.5278515578475471e-02
1                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -6.9606506582626506e-09        -1.0728151437424638e-04
2                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.0648901473110868e-01        -2.4061588133101673e-06
3                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.8670503963750676e-01         1.3406657888086440e-01
4                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -2.1994359523075360e-08         1.2141614970835179e-03
5                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         4.9323540615029066e-01        -2.4105979661457752e-01
6                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         9.3379437412658722e-02        -5.1996184202696438e-01
7                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.6170572452890725e-01        -3.7780798768932106e-01
8                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         4.9325901460234267e-01         1.2088972872673033e-01
9                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         9.3379531159287710e-02        -5.2120410957979912e-01
10                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.6170584324730825e-01         3.7808459223572982e-01
11                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         4.9325917978173156e-01         1.2020350346969051e-01
                                                         8                           9                          10                          11

0                                      1.0727694533430206e-04        -7.2797378391985798e-06        -7.6081120572193503e-02         1.1366096087564415e-04
1                                      6.5276209626988380e-02        -8.5062602837334854e-09         1.1365303535436232e-04         7.6084517646468883e-02
2                                      9.8223326552173610e-10        -3.6558261300331248e-02         3.9487947093090209e-06        -1.2411763907856652e-08
3                                      2.2043491306975664e-04         5.4394302100231329e-01         7.2683405856468852e-01        -1.0857913904353264e-03
4                                     -7.3879960876994344e-01         7.1747207173111879e-08         3.3084036152316408e-05         2.2041580469230479e-02
5                                     -3.9612383010919814e-04         1.6934229420020194e-01         2.8093159587275512e-01        -4.1965726402563939e-04
6                                     -3.7882506491103163e-01        -2.7192090376505684e-01         1.6567260737032094e-01         3.2400842953578263e-01
7                                     -8.4754976635195517e-02         4.7101581313113378e-01        -3.2512562369808584e-01        -5.3916523798105065e-01
8                                     -2.0854477775593752e-01         1.6933256744201997e-01        -1.4085670463912556e-01        -2.4310883259516697e-01
9                                      3.7711392744508737e-01        -2.7192095921353276e-01         1.6470390534943000e-01        -3.2450205191418174e-01
10                                    -8.3512744203220496e-02        -4.7101576667676570e-01         3.2351323602482179e-01        -5.4013411895057073e-01
11                                     2.0894088793709709e-01         1.6933264434363127e-01        -1.4012976302677760e-01         2.4352866233099527e-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"]       1.6207569999999998e+00
   &SCF [&Type "Double"]       8.9031669999999998e+00
   &SCFGRAD [&Type "Double"]       5.5233400000000010e+00
   &GSTEP [&Type "Double"]       4.7890000000011812e-03
   &PROPINT [&Type "Double"]       6.4144749999999986e+00
   &RESPONSE [&Type "Double"]       1.6692029999999995e+00
   &PROP [&Type "Double"]       2.5307447000000000e+01
   &SUM [&Type "Double"]       4.9443178000000003e+01
$End
