! 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   -0.7893119621  -2.7896920722  -0.2363360652
O    2.6067638699   2.3171760158   0.2354599446
O    0.5967167997   3.3016224059   0.2569689057
N   -0.9221851355  -0.5210761042  -0.2090991207
N    1.1128586618  -1.5935827370  -0.5712599226
N   -1.4735965941   1.5820257196   0.0711625855
N    0.8558363417   1.0181311853  -0.0335880061
C    2.8990567648  -2.7753242535   0.6694867985
C    2.0378631503  -2.7099772211  -0.5847438621
C   -2.3250976709  -0.4635289795  -0.1739575355
C    3.7539584609  -1.5363647997   0.9268649266
C   -2.6556807797   0.8780061490   0.0002828344
C   -0.4229548108   0.7584108494  -0.0542433129
C   -0.1856470129  -1.7358086448  -0.3286170982
C   -3.3234592443  -1.4180274911  -0.2960192479
C   -3.9612950332   1.3230664436   0.0685613880
C    4.7171673198  -1.2019047578  -0.2037508323
C   -4.6402170362  -0.9768808529  -0.2292557555
C   -4.9588378814   0.3663955075  -0.0483079564
C    1.2786640849   2.2923215868   0.1590213915
C    3.2204564195   3.5863067377   0.4355548493
H    3.5500283752  -3.6490288464   0.5730285612
H    2.2550833408  -2.9613951712   1.5332927911
H    1.4767516415  -3.6345168094  -0.6992859147
H    2.6633488061  -2.6211576392  -1.4742841486
H    3.1167131967  -0.6701298529   1.1273023768
H    4.3215825407  -1.7004592481   1.8456286822
H    1.4858303769  -0.6475429876  -0.5016461983
H   -3.1096025833  -2.4637253738  -0.4373055691
H   -4.1888058320   2.3711589596   0.2057156191
H    4.1990833487  -0.8885929351  -1.1118668153
H    5.3819025947  -0.3850897068   0.0791790235
H    5.3415558862  -2.0595984177  -0.4623395068
H   -5.4357159754  -1.7035867352  -0.3212665101
H   -5.9954596671   0.6700792022   0.0000523955
H    3.0715337137   4.2450209819  -0.4219272851
H    2.8536224668   4.0800043670   1.3368412929
H    4.2840431211   3.3890349082   0.5496934810
H   -1.3606021117   2.5797572525   0.1863279986
*