! 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    2.0029923524   1.9855569904   0.5972575400
O   -2.5398728334   1.5129922280  -0.9316800943
O   -1.7047343899   1.3649948358   1.6976477718
O    3.3068701136  -1.8451442038  -1.5089075538
O   -5.8070511212  -1.3926199614   0.1660785804
O    4.7777440233  -0.8381240353   2.7816724015
O   -1.4409844576  -2.8866751501  -0.3409821958
O    0.2046660648   0.2139343732   1.7133746302
N    2.6535973794   0.0988659177  -0.4995315124
N   -4.1577896638   0.0895295957  -0.4001615952
N    3.3946148894   0.6175801147   1.6814675839
N   -1.9437799215  -0.6804874267  -0.6887975972
C   -0.2577133059   1.6798280821  -0.1088074290
C    1.0307954724   2.1450634507  -0.3660756798
C   -1.2285927838   1.8904705394  -1.0919627305
C    1.3429121436   2.8345957727  -1.5217620078
C   -0.9258589445   2.5513194671  -2.2676812662
C    0.3558752401   3.0383656220  -2.4695678691
C   -0.5444313855   0.9931192002   1.1782754523
C    2.7056278392   0.8346648100   0.5836631348
C   -2.8778318653   0.2385317548  -0.6578293822
C    3.3295950667  -1.0405724427  -0.4545315890
C   -4.5343964102  -1.1477408181  -0.1029616302
C    4.0661899810  -0.5257712940   1.7082109823
C   -2.3337028958  -1.9092878443  -0.3669165415
C    4.0617026006  -1.4324706715   0.6550151946
C   -3.6482819697  -2.2165990463  -0.0537323712
C    2.7224267172  -1.3699344011  -2.7188459636
C   -6.7416346844  -0.3172246561   0.1265027695
C    4.7907983391   0.0607211688   3.8859400539
C   -0.0890486922  -2.5930022057  -0.6886691908
H    2.3479475634   3.2027591571  -1.6749855281
H   -1.6958747705   2.6938977670  -3.0136699955
H    0.5887159209   3.5695574490  -3.3818304108
H    4.6078390024  -2.3634810892   0.6907177615
H   -3.9624290784  -3.2168887597   0.2051468474
H   -1.8636492749   0.8949456563   2.5317621763
H    3.3264307962  -0.5755798999  -3.1590548703
H    2.7061607709  -2.2205110338  -3.3945393560
H    1.7092087738  -0.9993418280  -2.5759171602
H   -6.8001618526   0.1302155295  -0.8646255638
H   -7.7033419379  -0.7557682616   0.3763375247
H   -6.5004374227   0.4543981379   0.8564936446
H    3.7937873775   0.2052310868   4.3014085707
H    5.4242785860  -0.4047730095   4.6357197272
H    5.2110647452   1.0284949838   3.6155420642
H    0.4653544888  -3.5102239845  -0.5106991798
H   -0.0061401949  -2.3217862225  -1.7408662445
H    0.3196263729  -1.7935314477  -0.0735361201
*