! 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   -0.0681372886  -1.0670260938   1.2166210033
O   -1.6836032944  -0.4204722545  -1.8537592031
O   -1.5753956325  -0.3914418838   2.7203972300
O    0.0490913206   2.5886952446  -1.8025062438
N   -0.5370242995   1.5052311299   0.1064673131
N    1.7160607292   1.9253432684  -0.4199660662
N    3.6865168118   1.0389049168   0.0086473212
C   -0.2715228773   1.2539255504   1.5209399295
C   -0.8707552564   2.3245070544   2.4275009056
C   -1.9383491032   1.4365844417  -0.3104055792
C   -0.7342982948  -0.1531725888   1.8905448229
C    0.3447213526   2.0377023945  -0.7630373299
C   -0.3652919917   3.7150967085   2.0778150996
C   -2.3228695783   0.0798025468  -0.7702820540
C   -0.3423582374  -2.4552979020   1.4751263374
C    0.7314559893  -3.2777851041   0.8024898338
C   -3.2388862636  -0.8110126115  -0.3226922806
C    0.7256181817  -3.2008077245  -0.7244836910
C    2.6404472204   2.9300320345  -0.5962781900
C    2.4112327052   0.8058659593  -0.0659346541
C   -3.1592959312  -1.9411202036  -1.1932528482
C   -2.1964594139  -1.6491128872  -2.0955104805
C    3.8401612184   2.3658789362  -0.3082940637
C    1.8684738831  -3.9636483021  -1.3129977102
C    1.7540634006  -5.0320906815  -2.0928052262
H    0.8060697681   1.2688791304   1.6859638110
H   -1.9618578046   2.3047860878   2.4073601936
H   -0.5825654974   2.0787300191   3.4507701101
H   -2.1220298983   2.1809931550  -1.0837076311
H   -2.5798045742   1.7096842795   0.5259810646
H   -0.7208996402   4.4405520538   2.8084669155
H    0.7258601743   3.7596685635   2.0790851122
H   -0.7143911301   4.0509388311   1.1000590169
H   -1.3348620203  -2.7000652433   1.0904558098
H   -0.3350661298  -2.6351905284   2.5509865117
H    0.5749403367  -4.3143831406   1.1094190378
H    1.7097536900  -2.9876966822   1.1970547090
H   -3.8911962890  -0.6806910804   0.5256712877
H    0.7909968410  -2.1561574569  -1.0445955977
H   -0.2229230943  -3.5857775485  -1.1066205703
H    2.3630203902   3.9311132378  -0.8786737767
H    1.9345386298  -0.1472033488   0.0952692863
H   -3.7378134009  -2.8488751796  -1.1440973324
H   -1.7866301653  -2.1873401195  -2.9346000399
H    4.8070956442   2.8418780728  -0.3093171230
H    2.8616469615  -3.6038707352  -1.0558107172
H    2.6250435526  -5.5470772942  -2.4777926361
H    0.7876304937  -5.4344326117  -2.3749524125
*