! 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    3.5638157798   1.2605787404  -0.6017297338
O    0.4726593802   1.6494700207  -0.9920302920
O    2.3402916188   0.7967775353   1.2072067824
N    0.5645769297  -0.5519558473  -0.5842385168
C    2.0075008452  -0.4870992567  -0.8156596832
C   -0.0904222427  -1.8185877664  -0.5050037663
C   -0.3634501983  -2.5015744541  -1.6948558136
C   -0.4287112963  -2.3510395580   0.7413796921
C   -0.1163489727   0.6119182800  -0.7140218481
C   -1.6132713235   0.6048705325  -0.5066616729
C    2.7162029293  -1.7917895289  -0.4710230947
C    2.6139887241   0.6088576798   0.0475941374
C   -0.9866316109  -3.7425316689  -1.6179888255
C   -1.0525741237  -3.5955140025   0.7773111916
C   -2.0677156950   1.7391396981   0.3741394625
C    0.0142382700  -1.9264851010  -3.0269705146
C   -0.1840325414  -1.6000922667   2.0138195890
C   -1.3285839113  -4.2870179490  -0.3901760679
C   -3.2208650542   2.4507386220   0.0599140017
C   -1.3892313259   2.0539974607   1.5510567635
C   -3.6946742740   3.4474767974   0.9041165054
C   -1.8574309983   3.0514690701   2.3930914883
C   -3.0148350709   3.7507474132   2.0746275544
C    4.2861319897   2.2591815933   0.1221951256
H    2.2036110192  -0.2493536666  -1.8644980660
H   -1.9669256874  -0.3400723889  -0.0944412912
H   -2.0770872863   0.6916806079  -1.4934617398
H    2.5564586700  -2.0835619724   0.5663189919
H    2.3896467129  -2.6076747583  -1.1129538262
H    3.7877068134  -1.6702296594  -0.6271258522
H   -1.2054529125  -4.2851911305  -2.5290465161
H   -1.3239884154  -4.0237710746   1.7342041098
H   -0.4077084853  -2.5197374333  -3.8361858622
H   -0.3375673951  -0.9019148469  -3.1560324379
H    1.0967673382  -1.9146982453  -3.1714338698
H   -0.9694775822  -0.8598534197   2.1884404923
H   -0.1912468858  -2.2755134170   2.8678959454
H    0.7625288857  -1.0641030689   2.0110275184
H   -1.8122596330  -5.2538818003  -0.3437101030
H   -3.7589139354   2.2228269938  -0.8524010638
H   -0.4828154847   1.5243831685   1.8212704171
H   -4.5958378574   3.9872080271   0.6437931780
H   -1.3162394245   3.2824680782   3.3013791883
H   -3.3822608197   4.5253061552   2.7348472191
H    3.6279131156   3.0629067775   0.4498000879
H    5.0195421579   2.6585028503  -0.5714705241
H    4.7996133974   1.8351602217   0.9841168511
*