*************************************************
******************* 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    2.267671360706
$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                                      9.9999999999999944e-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                                      9.9999999999999956e-01
1                                      9.9999999999999989e-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                                      9.9999999999999944e-01
1                                      9.9999999999999944e-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                                     -1.0051067046723010e+00
   &Mult [&Type "ArrayOfIntegers", &Dim (1,1)] "Multiplicity of each state"
                                                         0

0                                                        1
$End
$SCF_Timings
   &GeometryIndex 1
   &TOTAL [&Type "Double"]       2.8236000000000001e-02
   &PREP [&Type "Double"]       1.9838999999999999e-02
   &FOCK [&Type "Double"]       3.2890000000000072e-03
   &DENS [&Type "Double"]       2.1799999999999597e-04
   &ETOT [&Type "Double"]       2.1499999999999991e-04
   &POP [&Type "Double"]       5.1549999999999929e-03
   &TRAFO [&Type "Double"]       2.6999999999999247e-05
   &DIIS [&Type "Double"]       1.5240000000000010e-03
   &SOSCF [&Type "Double"]       2.2210000000000008e-03
   &NR [&Type "Double"]       5.5300000000000488e-04
   &J [&Type "Double"]       5.5200000000000041e-04
   &FOCKSTART [&Type "Double"]       3.9799999999999905e-04
$End
$Single_Point_Data
   &GeometryIndex 1
   &FinalEnergy [&Type "Double"]      -1.0051067046723010e+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."]       1.4432899320127035e-15
   &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"]       1.0311699999999999e-01
   &SCF [&Type "Double"]       1.3172200000000001e-01
   &PROP [&Type "Double"]       3.3102999999999994e-02
   &SUM [&Type "Double"]       2.6794200000000001e-01
$End
