*************************************************
******************* ORCA 6.1.1 ******************
*************************************************
$Calculation_Status
   &GeometryIndex 1
   &version [&Type "String"] "6.1.1"
   &progName [&Type "String"] "LeanSCF"
   &Status [&Type "String"] "NORMAL TERMINATION"
$End
$Geometry
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 2
   &NCorelessECP [&Type "Integer"] 0
   &NGhostAtoms [&Type "Integer"] 0
   &CartesianCoordinates [&Type "Coordinates", &Dim(2,4), &Units "Bohr"] 
              H      0.000000000000    0.000000000000    0.000000000000
              H      0.000000000000    0.000000000000    1.889726133921
$End
$SCF_Mulliken_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 2
   &ATNO [&Type "ArrayOfIntegers", &Dim (2,1)] 
                                                         0

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

0                                      0.0000000000000000e+00
1                                      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_Loewdin_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 2
   &ATNO [&Type "ArrayOfIntegers", &Dim (2,1)] 
                                                         0

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

0                                      0.0000000000000000e+00
1                                      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_Mayer_Population_Analysis
   &GeometryIndex 1
   &NAtoms [&Type "Integer"] 2 "Total number of atoms"
   &NBondOrdersPrint [&Type "Integer"] 1 "The number of bond orders larger than threshold"
   &bondThresh [&Type "Double"]       1.0000000000000001e-01  "The threshold for printing"
   &components [&Type "ArrayOfIntegers", &Dim (1,4)] "The indices and atomic numbers of the bonding atoms"
                                                         0                           1                           2                           3

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

0                                      9.9999999999999922e-01
   &ATNO [&Type "ArrayOfIntegers", &Dim (2,1)] "Atomic number of the elements"
                                                         0

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

0                                      1.0000000000000102e+00
1                                      9.9999999999998890e-01
   &ZA [&Type "ArrayOfDoubles", &Dim (2,1)] "Total nuclear charge"
                                                         0

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

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
   &VA [&Type "ArrayOfDoubles", &Dim (2,1)] "Mayer's total valence"
                                                         0

0                                      1.0000000000000000e+00
1                                      1.0000000000000000e+00
   &BVA [&Type "ArrayOfDoubles", &Dim (2,1)] "Mayer's bonded valence"
                                                         0

0                                      9.9999999999999922e-01
1                                      9.9999999999999922e-01
   &FA [&Type "ArrayOfDoubles", &Dim (2,1)] "Mayer's free valence"
                                                         0

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

0                                     -1.0661086479266402e+00
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       2.5744000000000000e-02
   &PREP [&Type "Double"]       1.9719000000000000e-02
   &FOCK [&Type "Double"]       4.1910000000000038e-03
   &DENS [&Type "Double"]       1.6059999999999963e-03
   &ETOT [&Type "Double"]       4.1800000000000170e-04
   &POP [&Type "Double"]       5.0790000000000002e-03
   &TRAFO [&Type "Double"]       8.5799999999999765e-04
   &DIIS [&Type "Double"]       1.5219999999999990e-03
   &SOSCF [&Type "Double"]       3.4049999999999983e-03
   &J [&Type "Double"]       5.2599999999999869e-04
   &FOCKSTART [&Type "Double"]       8.8200000000000084e-04
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -1.0661086479266402e+00  "Final single point energy"
   &Converged [&Type "Boolean"] true
$End
$Calculation_Info
   &GeometryIndex 1
   &Mult [&Type "Integer"] 1
   &Charge [&Type "Integer"] 0
   &NumOfAtoms [&Type "Integer"] 2
   &NumOfElectrons [&Type "Integer"] 2
   &NumOfBasisFuncts [&Type "Integer"] 2
   &NumOfAuxCBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJBasisFuncts [&Type "Integer"] 0
   &NumOfAuxJKBasisFuncts [&Type "Integer"] 0
   &NumOfCABSBasisFuncts [&Type "Integer"] 0
$End
$SCF_Dipole_Moment
   &GeometryIndex 1
   &dipoleMagnitude [&Type "Double", &Units "a.u."]       1.1657341758564144e-14
   &dipoleElecContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Electronic contribution"
                                                         0

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &dipoleNucContrib [&Type "ArrayOfDoubles", &Dim (3,1)] "Nuclear contribution"
                                                         0

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

0                                      0.0000000000000000e+00
1                                      0.0000000000000000e+00
2                                      0.0000000000000000e+00
   &doAtomicDipole [&Type "Boolean"] false
   &Method [&Type "String"] "SCF"
   &Level [&Type "String"] "Relaxed density"
   &Mult [&Type "Integer"] 1
   &State [&Type "Integer"] -1
   &Irrep [&Type "Integer"] 0
$End
$Calculation_Timings
   &GeometryIndex 1
   &GTOINT [&Type "Double"]       1.0148599999999999e-01
   &SCF [&Type "Double"]       1.2888600000000003e-01
   &PROP [&Type "Double"]       3.2965999999999940e-02
   &SUM [&Type "Double"]       2.6333799999999996e-01
$End
