! 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    0.1169818092   1.9107008090  -0.0825415066
O   -0.3487780070  -2.6476519652   0.0437084525
N   -0.1684743384  -0.3595322769  -0.0062279707
N    1.7102915670  -1.7506202290   0.0027296557
C   -1.6429052626  -0.2345831051   0.0095143330
C   -2.1695882050   0.4482772852   1.2705855805
C   -2.2055717878   0.3770541801  -1.2726470466
C   -3.6959370987   0.4154391988   1.2762603201
C   -3.7314444769   0.3454425451  -1.2334432567
C   -4.2691752978   1.0422616086   0.0108327226
C    2.0360333063   0.5768574825  -0.0355493851
C    2.5274231083  -0.6725712093  -0.0182888205
C    0.6232455241   0.7981312037  -0.0459360384
C    3.1297533497   1.5970691614  -0.1025352862
C    4.0150180761  -0.7115018243  -0.0666955112
C    4.3833967814   0.7564338885   0.2231552505
C    0.3467143585  -1.6450319381   0.0147118970
H   -2.0057778987  -1.2604098034   0.0434946485
H   -1.8343498271   1.4837320540   1.3260829439
H   -1.7817458834  -0.0664626798   2.1529552481
H   -1.8423878779  -0.1868277080  -2.1353389939
H   -1.8721163888   1.4072837366  -1.3957744904
H   -4.0672986000   0.9346055744   2.1623838232
H   -4.0417786065  -0.6207217017   1.3559469000
H   -4.0784149430  -0.6932773130  -1.2449469095
H   -4.1280803574   0.8148153157  -2.1362200904
H   -5.3606078441   0.9977417491   0.0275712025
H   -4.0008406685   2.1038399845  -0.0223330972
H    3.1882646096   2.0455943661  -1.0981684135
H    2.9937608756   2.4162630550   0.6047352335
H    4.4413210442  -1.4119415736   0.6526756303
H    4.3381735997  -1.0361795539  -1.0598940297
H    5.2565339283   1.0773045081  -0.3416105669
H    4.6235348426   0.8612883618   1.2812557503
H    2.0910188864  -2.6867739047   0.0203506764
*