*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
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   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "LeanSCF"
   &Status [&Type "String"] "NORMAL TERMINATION"
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$Geometry
   &GeometryIndex 1
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   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000000000000    0.000000000000   -0.661404146872
              H      1.785791196556    0.000000000000    0.000000000000
              H     -0.892895598278    1.546540542117    0.000000000000
              H     -0.892895598278   -1.546540542117    0.000000000000
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$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                                     -7.0464765484274761e-01
1                                      2.3488032609185783e-01
2                                      2.3488366450299025e-01
3                                      2.3488366424786222e-01
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   &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                                     -3.9128658877489464e-01
1                                      1.3042849414886570e-01
2                                      1.3042904692958202e-01
3                                      1.3042904769639996e-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_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                                      9.4391661235396684e-01
1                                      9.4391474221572946e-01
2                                      9.4391474124373353e-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                                      7.7046476548427503e+00
1                                      7.6511967390814251e-01
2                                      7.6511633549700953e-01
3                                      7.6511633575213822e-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                                     -7.0464765484275027e-01
1                                      2.3488032609185749e-01
2                                      2.3488366450299047e-01
3                                      2.3488366424786178e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8317460958133900e+00
1                                      9.4683183660025505e-01
2                                      9.4682975433252126e-01
3                                      9.4682975352625509e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8317460958134300e+00
1                                      9.4683183660025694e-01
2                                      9.4682975433253092e-01
3                                      9.4682975352626830e-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"
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   &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                                     -5.6513089897321244e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
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$DFT_Energy
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   &finalEn [&Type "Double"]      -5.6513089897321244e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7350871469873042e+00
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   &eXC [&Type "Double"]      -6.0516760520308850e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       4.4182160000000001e+00
   &PREP [&Type "Double"]       6.3140000000000002e-02
   &FOCK [&Type "Double"]       4.0233669999999995e+00
   &DENS [&Type "Double"]       2.0805999999999880e-02
   &ETOT [&Type "Double"]       5.9499999999967912e-04
   &POP [&Type "Double"]       1.3819999999995503e-03
   &TRAFO [&Type "Double"]       3.5940000000000971e-03
   &DIIS [&Type "Double"]       7.8750000000000764e-03
   &SOSCF [&Type "Double"]       3.1280000000004637e-03
   &XC [&Type "Double"]       1.5634250000000014e+00
   &FOCKSTART [&Type "Double"]       6.8500000000043526e-04
   &INT_BF [&Type "Double"]       6.4180000000000881e-01
   &INT_DENS [&Type "Double"]       2.3969599999999325e-01
   &INT_DENSIO [&Type "Double"]       1.6757491160000027e+04
   &INT_FUNC [&Type "Double"]       2.6225300000001128e-01
   &INT_POT [&Type "Double"]       3.2296599999999354e-01
   &INT_POTIO [&Type "Double"]       2.3189999999983057e-02
   &INT_SUM [&Type "Double"]       2.0000000002795559e-06
   &SPLITRIJ [&Type "Double"]       1.2917600000000029e-01
   &COSX [&Type "Double"]       2.6505159999999992e+00
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$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -5.6513089897321244e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
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$SCF_Nuc_Gradient
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       7.9035181061532407e-03
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      3.4201447541765327e-08
1                                     -3.9779376756666121e-09
2                                      6.2743252357176371e-03
3                                     -1.8236680940960925e-03
4                                     -1.6744916813205853e-09
5                                     -2.0920557077501734e-03
6                                      9.1181378076703179e-04
7                                     -1.5791534969811227e-03
8                                     -2.0911320938116346e-03
9                                      9.1182010964142857e-04
10                                     1.5791591493917456e-03
11                                    -2.0911374380319508e-03
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
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$Geometry
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
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   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000083713411    0.000000001278   -0.672720842962
              H      1.786192921060    0.000000009812    0.003751562052
              H     -0.893138308370    1.546704975610    0.003782566746
              H     -0.893138326101   -1.546704986699    0.003782567292
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$SCF_Energy
   &GeometryIndex 2
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513163123117558e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$DFT_Energy
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   &nAlphaEl [&Type "Integer"] 5
   &nBetaEl [&Type "Integer"] 5
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   &finalEn [&Type "Double"]      -5.6513163123117558e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7325368691885945e+00
   &eCorr [&Type "Double"]      -3.1644342569547190e-01
   &eXC [&Type "Double"]      -6.0489802948840667e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
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$SCF_Timings
   &GeometryIndex 2
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   &PREP [&Type "Double"]       6.6145999999999996e-02
   &FOCK [&Type "Double"]       2.6354769999999998e+00
   &DENS [&Type "Double"]       1.2390000000004342e-03
   &ETOT [&Type "Double"]       3.7700000000029377e-04
   &TRAFO [&Type "Double"]       6.8299999999998917e-04
   &DIIS [&Type "Double"]       7.3799999999996091e-04
   &SOSCF [&Type "Double"]       3.0349999999998989e-03
   &XC [&Type "Double"]       8.9726400000000028e-01
   &FOCKSTART [&Type "Double"]       4.8100000000016185e-04
   &INT_BF [&Type "Double"]       3.7512100000000637e-01
   &INT_DENS [&Type "Double"]       1.3881900000000580e-01
   &INT_DENSIO [&Type "Double"]       6.9102201909999985e+03
   &INT_FUNC [&Type "Double"]       1.5220399999998974e-01
   &INT_POT [&Type "Double"]       1.8514299999999628e-01
   &INT_POTIO [&Type "Double"]       1.2147000000000352e-02
   &INT_SUM [&Type "Double"]       1.9999999996689333e-06
   &SPLITRIJ [&Type "Double"]       4.3909999999999977e-02
   &COSX [&Type "Double"]       2.0253240000000003e+00
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$Single_Point_Data
   &GeometryIndex 2
   &FinalEnergy [&Type "Double"]      -5.6513163123117558e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Nuc_Gradient
   &GeometryIndex 2
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       3.8239232442023124e-03
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
                                                         0

0                                      2.1620569027137939e-05
1                                      2.9888602875346690e-09
2                                      3.3090959477636017e-03
3                                      9.0236995448300661e-05
4                                      5.1002660642520802e-10
5                                     -1.1092574423735985e-03
6                                     -5.5927911826986199e-05
7                                      6.0454668478898688e-05
8                                     -1.0999197814838685e-03
9                                     -5.5929654831740616e-05
10                                    -6.0458167402466234e-05
11                                    -1.0999187278909472e-03
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] 0
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$Geometry
   &GeometryIndex 3
   &NAtoms [&Type "Integer"] 4
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
              N      0.000148051705   -0.000000001786   -0.694623355162
              H      1.779317454410    0.000000008973    0.011037146694
              H     -0.889732745803    1.540645683462    0.011091031208
              H     -0.889732760312   -1.540645690649    0.011091030387
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$SCF_Energy
   &GeometryIndex 3
   &Method [&Type "String"] "SCF"
   &totalEnergy [&Type "ArrayOfDoubles", &Dim (1,1)] "Total energy of each state"
                                                         0

0                                     -5.6513217299505563e+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"]      -5.6513217299505563e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7309382795105765e+00
   &eCorr [&Type "Double"]      -3.1635640605360138e-01
   &eXC [&Type "Double"]      -6.0472946855641778e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 3
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   &PREP [&Type "Double"]       6.7884000000000000e-02
   &FOCK [&Type "Double"]       2.8853840000000002e+00
   &DENS [&Type "Double"]       1.6430000000000611e-03
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   &INT_POTIO [&Type "Double"]       1.4426000000004491e-02
   &INT_SUM [&Type "Double"]       2.0000000001130225e-06
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$Single_Point_Data
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$SCF_Nuc_Gradient
   &GeometryIndex 3
   &NAtoms [&Type "Integer"] 4
   &gradNorm [&Type "Double"]       9.9529393561688883e-04
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
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0                                      4.7967290403902650e-05
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10                                    -4.7498925085878718e-04
11                                     4.7606060056937238e-05
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$Geometry
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   &CartesianCoordinates [&Type "Coordinates", &Dim(4,4), &Units "Bohr"] 
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$SCF_Energy
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                                                         0

0                                     -5.6513218880474092e+01
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
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$DFT_Energy
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$SCF_Timings
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   &SPLITRIJ [&Type "Double"]       4.4080999999999856e-02
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$SCF_Nuc_Gradient
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   &gradNorm [&Type "Double"]       2.4134658440938742e-04
   &grad [&Type "ArrayOfDoubles", &Dim (12,1)] 
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1                                     -9.6230493837781151e-10
2                                     -1.0836913892087185e-04
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4                                      1.3562734910678016e-09
5                                      2.7691438480109687e-05
6                                     -7.3243169149583842e-05
7                                      9.2585595967947798e-05
8                                      4.0339491776661407e-05
9                                     -7.3243455972440974e-05
10                                    -9.2585989933585688e-05
11                                     4.0338204514975273e-05
   &Method [&Type "String"] "SCF"
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$Geometry
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              N      0.000039594792    0.000000001243   -0.697061290144
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$SCF_Mulliken_Population_Analysis
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   &Method [&Type "String"] "SCF"
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   &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                                      9.4391287543509428e-01
1                                      9.4391443860824165e-01
2                                      9.4391443942983810e-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                                      7.7009832396838380e+00
1                                      7.6633735123312718e-01
2                                      7.6633970364009074e-01
3                                      7.6633970544293362e-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                                     -7.0098323968383802e-01
1                                      2.3366264876687282e-01
2                                      2.3366029635990926e-01
3                                      2.3366029455706638e-01
   &VA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's total valence"
                                                         0

0                                      2.8317417534731595e+00
1                                      9.4615852148071244e-01
2                                      9.4615688533374687e-01
3                                      9.4615688580973456e-01
   &BVA [&Type "ArrayOfDoubles", &Dim (4,1)] "Mayer's bonded valence"
                                                         0

0                                      2.8317417534731741e+00
1                                      9.4615852148071111e-01
2                                      9.4615688533374920e-01
3                                      9.4615688580973600e-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                                     -5.6513213158611464e+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"]      -5.6513213158611464e+01  "No Van der Waals correction"
   &eExchange [&Type "Double"]      -5.7314252145216278e+00
   &eCorr [&Type "Double"]      -3.1638580652032561e-01
   &eXC [&Type "Double"]      -6.0478110210419533e+00
   &eCNL [&Type "Double"]       0.0000000000000000e+00
$End
$SCF_Timings
   &GeometryIndex 5
   &TOTAL [&Type "Double"]       1.9339340000000000e+00
   &PREP [&Type "Double"]       6.4929000000000001e-02
   &FOCK [&Type "Double"]       1.5565050000000000e+00
   &DENS [&Type "Double"]       5.8399999999991792e-04
   &ETOT [&Type "Double"]       2.4599999999985744e-04
   &POP [&Type "Double"]       5.4570000000000451e-03
   &TRAFO [&Type "Double"]       6.9800000000008744e-04
   &DIIS [&Type "Double"]       7.0700000000001317e-04
   &SOSCF [&Type "Double"]       1.6620000000000523e-03
   &XC [&Type "Double"]       5.2577999999999991e-01
   &FOCKSTART [&Type "Double"]       7.3240000000001360e-03
   &INT_BF [&Type "Double"]       2.1476500000000098e-01
   &INT_DENS [&Type "Double"]       8.0540999999999197e-02
   &INT_DENSIO [&Type "Double"]       2.5134082239999957e+03
   &INT_FUNC [&Type "Double"]       8.7589999999999946e-02
   &INT_POT [&Type "Double"]       1.0838400000000303e-01
   &INT_POTIO [&Type "Double"]       6.5730000000007172e-03
   &INT_SUM [&Type "Double"]       1.0000000000287557e-06
   &SPLITRIJ [&Type "Double"]       2.4520000000000111e-02
   &COSX [&Type "Double"]       1.3454070000000002e+00
$End
$Single_Point_Data
   &GeometryIndex 5
   &FinalEnergy [&Type "Double"]      -5.6513213158611464e+01  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$SCF_Dipole_Moment
   &GeometryIndex 5
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       6.6555356252032527e-01
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      3.8614285415418913e-05
1                                      2.1863278880460829e-09
2                                     -2.0249129068387531e-01
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

0                                     -6.4640572357221870e-05
1                                     -2.0290515934107134e-09
2                                      8.6804485269532516e-01
   &dipoleTotal [&Type "ArrayOfDoubles", &Dim (3,1)] "Total"
                                                         0

0                                     -2.6026286941802958e-05
1                                      1.5727629463536952e-10
2                                      6.6555356201144988e-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 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"]      -5.6513213158611464e+01
   &transEnergy [&Type "Double"]       1.4162714244859817e-03
   &rotEnergy [&Type "Double"]       1.4162714244859817e-03
   &vibEnergy [&Type "Double"]       3.7554410972450353e-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                                      1.0305901932776651e+03
7                                      1.6694339414092824e+03
8                                      1.6694962504179257e+03
9                                      3.5026023677544240e+03
10                                     3.6313620340659691e+03
11                                     3.6314284040557664e+03
   &zpe [&Type "Double"]       3.4479869307552452e-02
   &innerEnergyU [&Type "Double"]      -5.6475863192043960e+01
   &enthalpyH [&Type "Double"]      -5.6474918983001700e+01
   &qEl [&Type "Double"]       0.0000000000000000e+00
   &qRot [&Type "Double"]       5.4308402149466032e-03
   &qVib [&Type "Double"]       4.4728722728892537e-05
   &qTrans [&Type "Double"]       1.6364250539629886e-02
   &entropyS [&Type "Double"]       2.1839819477305379e-02
   &freeEnergyG [&Type "Double"]      -5.6496758802479007e+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                                      6.5477744738505417e-01        -2.8020161746411532e-09         2.6484191838031801e-06        -3.7653723299272746e-01        -4.9037928264022467e-11        -1.7415500286588087e-01        -1.3912010930961349e-01         1.3707639914733549e-01
1                                     -2.8020161746411532e-09         6.5471408173644252e-01         2.5916185586449814e-09         1.9947158541844861e-10        -5.9967972032491282e-02         5.6236455888527161e-10         1.3707643823834070e-01        -2.9737305615773746e-01
2                                      2.6484191838031801e-06         2.5916185586449814e-09         2.1132740221032201e-01        -1.1913692631552061e-01        -1.7584306589274432e-09        -7.0440880003489859e-02         5.9567142921355030e-02        -1.0316821969555237e-01
3                                     -3.7653723299272746e-01         1.9947158541844861e-10        -1.1913692631552061e-01         4.1072767155859113e-01         8.6717335027151898e-10         1.3986443808219207e-01        -1.7095219602624386e-02        -2.8682152615849207e-03
4                                     -4.9037928264022467e-11        -5.9967972032491282e-02        -1.7584306589274432e-09         8.6717335027151898e-10         5.8729095126183732e-02         1.2764682316788317e-09         3.3551187861123176e-02         6.1943848661648575e-04
5                                     -1.7415500286588087e-01         5.6236455888527161e-10        -7.0440880003489859e-02         1.3986443808219207e-01         1.2764682316788317e-09         6.9803138630425060e-02         1.7145082913554835e-02        -2.0675756832582715e-03
6                                     -1.3912010930961349e-01         1.3707643823834070e-01         5.9567142921355030e-02        -1.7095219602624386e-02         3.3551187861123176e-02         1.7145082913554835e-02         1.4673791181078027e-01        -1.5241791014450123e-01
7                                      1.3707639914733549e-01        -2.9737305615773746e-01        -1.0316821969555237e-01        -2.8682152615849207e-03         6.1943848661648575e-04        -2.0675756832582715e-03        -1.5241791014450123e-01         3.2271403337468513e-01
8                                      8.7076174840451298e-02        -1.5081473793105193e-01        -7.0443264505480385e-02        -1.0363556196614582e-02         1.3814522877308513e-02         3.1887031474607877e-04        -6.9932691012814935e-02         1.2111800542926421e-01
9                                     -1.3912010508271322e-01        -1.3707643894121121e-01         5.9567143827105887e-02        -1.7095218963239296e-02        -3.3551189327383268e-02         1.7145082184213019e-02         9.4774171014575959e-03         1.8209927341663885e-02
10                                    -1.3707639299086627e-01        -2.9737305354621379e-01         1.0316821631426064e-01         2.8682148430646537e-03         6.1943841969106742e-04         2.0675744623217529e-03        -1.8209917037875868e-02        -2.5960415703564187e-02
11                                     8.7076170754121662e-02         1.5081473732517264e-01        -7.0443257701351764e-02        -1.0363555884135924e-02        -1.3814523013242357e-02         3.1887105831871626e-04        -6.7797279506928067e-03        -1.5881829767194176e-02
                                                         8                           9                          10                          11

0                                      8.7076174840451298e-02        -1.3912010508271322e-01        -1.3707639299086627e-01         8.7076170754121662e-02
1                                     -1.5081473793105193e-01        -1.3707643894121121e-01        -2.9737305354621379e-01         1.5081473732517264e-01
2                                     -7.0443264505480385e-02         5.9567143827105887e-02         1.0316821631426064e-01        -7.0443257701351764e-02
3                                     -1.0363556196614582e-02        -1.7095218963239296e-02         2.8682148430646537e-03        -1.0363555884135924e-02
4                                      1.3814522877308513e-02        -3.3551189327383268e-02         6.1943841969106742e-04        -1.3814523013242357e-02
5                                      3.1887031474607877e-04         1.7145082184213019e-02         2.0675744623217529e-03         3.1887105831871626e-04
6                                     -6.9932691012814935e-02         9.4774171014575959e-03        -1.8209917037875868e-02        -6.7797279506928067e-03
7                                      1.2111800542926421e-01         1.8209927341663885e-02        -2.5960415703564187e-02        -1.5881829767194176e-02
8                                      6.9802687238128436e-02        -6.7797345024239106e-03         1.5881829341219841e-02         3.2170695260587585e-04
9                                     -6.7797345024239106e-03         1.4673790694449490e-01         1.5241789805630404e-01        -6.9932689214093957e-02
10                                     1.5881829341219841e-02         1.5241789805630404e-01         3.2271403083008687e-01        -1.2111800233126918e-01
11                                     3.2170695260587585e-04        -6.9932689214093957e-02        -1.2111800233126918e-01         6.9802679690427180e-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        -4.2676875946725567e-07        -2.9528313946213162e-05
1                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -3.4381401214159843e-09        -6.5261975477388490e-02
2                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.0647992013692364e-01        -5.1260248218281825e-09
3                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.8687167023169660e-01        -6.0719505744180841e-05
4                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         4.1045125700637879e-08         7.3873614977947100e-01
5                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9323753392072400e-01         1.0915980179927242e-04
6                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -9.3432848207441160e-02         3.7821403797365888e-01
7                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         1.6181302070056594e-01         8.4237722580422808e-02
8                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9319483464610897e-01         2.0884513869559809e-01
9                                      0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -9.3432891716702077e-02        -3.7774299793870370e-01
10                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -1.6181301396986941e-01         8.3895661877983752e-02
11                                     0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00         0.0000000000000000e+00        -4.9319485500250254e-01        -2.0895422726701074e-01
                                                         8                           9                          10                          11

0                                     -6.5260094824218226e-02         9.4596883766602381e-06        -2.0847842463381655e-05         7.6074065032486746e-02
1                                      2.9529674618550762e-05         1.3404640547658444e-08        -7.6070966988213626e-02        -2.0846580365105451e-05
2                                      2.1201752840197780e-06        -3.6584741862028702e-02        -7.1609115385726904e-09         4.3906817381533585e-06
3                                     -1.3416881717590290e-01         5.4377033841826672e-01         1.9928288151303166e-04        -7.2684772405865883e-01
4                                     -3.3426165815402068e-04        -6.0372759710927539e-10        -2.2055687699262822e-02        -6.0477929131825474e-06
5                                      2.4119014403140182e-01         1.6943147198530370e-01         7.7085605941313575e-05        -2.8118506116470193e-01
6                                      5.2033508273713280e-01        -2.7195084108189366e-01        -3.2424095974442879e-01        -1.6522127406223264e-01
7                                      3.7795797776198464e-01         4.7101763721272544e-01         5.3947381739688760e-01         3.2435391858579798e-01
8                                     -1.2070432552574879e-01         1.6947195901359821e-01         2.4346311640535115e-01         1.4062875380819298e-01
9                                      5.2067713543363625e-01        -2.7195094758944049e-01         3.2433137500714643e-01        -1.6504353055970600e-01
10                                    -3.7803405554071751e-01        -4.7101782287764871e-01         5.3965134907609402e-01        -3.2405819018656129e-01
11                                    -1.2051528010803733e-01         1.6947204445887223e-01        -2.4354010250445926e-01         1.4049529517485598e-01
$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"]       2.8151089999999988e+00
   &SCF [&Type "Double"]       1.6357146000000000e+01
   &SCFGRAD [&Type "Double"]       1.1581818999999999e+01
   &GSTEP [&Type "Double"]       9.0160000000022444e-03
   &PROPINT [&Type "Double"]       6.7433559999999968e+00
   &RESPONSE [&Type "Double"]       1.7111200000000011e+00
   &PROP [&Type "Double"]       2.6943839999999994e+01
   &SUM [&Type "Double"]       6.6161405999999999e+01
$End
