! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O   -0.4344053326  -0.5439684417   1.0132136075
O   -1.4500458108  -0.1413246980  -0.9637013485
O    6.0502822337   1.6623975520   0.5701475675
O    5.9173231742  -0.2023900209  -0.6756510034
N   -2.6012385714  -0.1691978345   1.0190466545
N    4.1044358429   0.6465580376   0.4428237498
C   -3.9219224152   0.0968254104   0.6341559920
C   -5.7218559963   0.2643158987  -0.9737941562
C   -4.3833246358   0.0187913381  -0.6796301783
C    3.0885320278  -0.2520119335   0.1182278677
C    0.7695474359  -0.8215254442   0.3922289874
C   -4.8123819252   0.4204957727   1.6559400268
C   -6.6018227380   0.5891725377   0.0557703438
C    1.8267598123   0.0261721641   0.6510948275
C   -6.1436236831   0.6625073661   1.3615230318
C   -6.2174246206   0.1603466932  -2.3860019929
C    3.2532368486  -1.3802657953  -0.6844631596
C    0.9143439714  -1.9502385994  -0.3976364644
C    2.1662814466  -2.2081376907  -0.9287087004
C   -1.5098826435  -0.2711245626   0.2349684640
C    5.4023206936   0.6241250869   0.0461154424
C    7.4300893427   1.7967489991   0.2313216941
H   -3.7154309741  -0.2411859188  -1.4861983027
H   -4.4638595400   0.4818158679   2.6798567205
H   -7.6449559139   0.7802712087  -0.1643388064
H    1.6754473911   0.8975484831   1.2771559970
H   -6.8264684150   0.9118467865   2.1630114138
H   -2.4476045681  -0.2575234192   2.0137401347
H    4.2081980002  -1.6289239698  -1.1149230198
H    0.0838780962  -2.6175551620  -0.5835586675
H   -5.4032430688  -0.0086469587  -3.0892063798
H   -6.9242123588  -0.6641786464  -2.4936509498
H   -6.7396054675   1.0679660335  -2.6910093267
H    2.3073173252  -3.0826030158  -1.5494442076
H    3.8363982331   1.4124607482   1.0440535584
H    7.7634343685   2.7124000177   0.7107581528
H    7.5730108793   1.8853169691  -0.8450732479
H    8.0185806680   0.9612458195   0.6096289087
*