! 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    3.3843609951   2.3093348196   0.6867720386
O    1.1785771685   0.9380406659   0.9476309459
N    1.9959454805  -1.0255911659   0.0325533661
N    2.4086494918  -1.7515438433   1.0766542637
N    1.4385209771  -3.0649613333  -0.4650490629
C    4.5426236229   0.8039985466  -0.7513627902
C    3.4887001914   0.9420442439   0.3700760559
C    2.0859747156   0.4128910740   0.0056759811
C    4.7110463801  -0.6519212534  -1.1946323538
C    4.1892592618   1.6577627316  -1.9714322752
C    5.8860023384   1.2761452137  -0.1853061781
C   -0.1514590776   0.7208813942   0.6884524201
C    1.4095934566  -1.8200707089  -0.8671510853
C   -0.9063936468   0.0542515633   1.6412801102
C   -0.7481284120   1.1776099499  -0.4794949071
C    2.0607350248  -2.9612460494   0.7274777003
C   -2.8824233851   0.3011129638   0.2618363071
C   -2.2619195766  -0.1419346645   1.4299119183
C   -2.1003685583   0.9616736043  -0.6864260595
C   -4.3251025427   0.0846190170   0.0355982418
C   -4.8089009507  -0.2360609338  -1.2341749641
C   -5.2383385633   0.1994440416   1.0852160834
C   -6.1647136858  -0.4355294334  -1.4477888675
C   -6.5942829797   0.0008460986   0.8712935368
C   -7.0634820183  -0.3174626514  -0.3960963266
H    3.8434777748   0.3701882339   1.2382238336
H    1.8133697353   0.7160869615  -1.0093463646
H    4.8643470930  -1.3252917699  -0.3493612917
H    3.8675449689  -1.0225181038  -1.7774260995
H    5.5896501339  -0.7343954520  -1.8368747591
H    4.9588872846   1.5420621872  -2.7373403775
H    4.1275357912   2.7193207517  -1.7328824961
H    3.2443876400   1.3626916585  -2.4334268918
H    5.8673893028   2.3237639483   0.1130652374
H    6.6689979886   1.1638655269  -0.9377038094
H    6.1816266258   0.6840052625   0.6842876479
H    2.8661800453   2.4024115958   1.4936497009
H    0.9931186959  -1.4536538581  -1.7929111349
H   -0.4376544255  -0.3102459156   2.5460159271
H   -0.1776914809   1.7207927231  -1.2222985084
H    2.2610378720  -3.8099232827   1.3623520889
H   -2.8338401496  -0.6752308155   2.1784403765
H   -2.5537394650   1.3423282195  -1.5926396450
H   -4.1199615824  -0.3508546464  -2.0617401012
H   -4.8919958597   0.4670909159   2.0757241160
H   -6.5182090246  -0.6907974329  -2.4381617469
H   -7.2862896743   0.1026329444   1.6969417396
H   -8.1212934811  -0.4716959353  -0.5630430801
*