! 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   -0.5287630494  -2.5679325915  -0.9525974199
O    2.5132363656   2.7327821213   0.0199545851
O    0.4547115003   3.4570695181   0.5128119999
N   -0.7930815343  -0.3737316612  -0.4259140349
N    1.2969944592  -1.2304050219  -1.0200417470
N   -1.4684788811   1.6037915030   0.2382455053
N    0.8716909665   1.2834690415  -0.1769604354
C    2.7016736786  -3.0064370637   0.0154583336
C    2.2516914931  -2.2975728799  -1.2551130506
C   -2.1866712274  -0.4486973684  -0.2549089279
C    3.4174821743  -2.0968663469   1.0052311735
C   -2.5948927230   0.8146951405   0.1651902382
C   -0.3777323906   0.9087547079  -0.1128428824
C    0.0088999174  -1.4832394842  -0.8142265999
C   -3.1218851617  -1.4591383039  -0.4248994175
C   -3.9129631133   1.1271174677   0.4339697416
C    3.8611856074  -2.8353868464   2.2584750149
C   -4.4510386512  -1.1518840676  -0.1565597277
C   -4.8454355185   0.1146359798   0.2664417997
C    1.1996186976   2.5593955830   0.1481093762
C    3.0312481331   4.0267862743   0.3129342369
H    3.3715843220  -3.8186306796  -0.2820465744
H    1.8407736970  -3.4798289637   0.4964279691
H    1.8255999102  -3.0134262102  -1.9572566568
H    3.1103276490  -1.8452021123  -1.7515797147
H    4.2876276098  -1.6465754354   0.5178413007
H    2.7647990716  -1.2676670147   1.2916097218
H    1.6349755677  -0.3002032026  -0.7854631411
H   -2.8549945990  -2.4496098398  -0.7504705966
H   -4.1978184294   2.1182002210   0.7586054504
H    3.0094329206  -3.2732206185   2.7821514251
H    4.5520921097  -3.6458863255   2.0197913004
H    4.3669879638  -2.1670997922   2.9562803839
H   -5.1959982689  -1.9254949619  -0.2826402168
H   -5.8893035643   0.3132129501   0.4664858671
H    2.8473307074   4.3119290711   1.3487821864
H    4.1031286807   3.9610238046   0.1488317059
H    2.6167506999   4.7872879750  -0.3491721540
H   -1.4218522854   2.5749753422   0.5145446227
*