! 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
Cl   5.3287650203   2.3632254709   0.1975617352
O   -2.5916419073  -0.7541251179   1.8056020617
N   -1.1793297205  -2.4878331198  -0.1524717265
N   -0.8532514250  -2.8717031609   1.0869515096
N    0.6354055575  -3.6649325229  -0.3833077879
C   -2.3708951853  -0.3813759429   0.4529737558
C   -3.6053696448   0.4967292316   0.0609994478
C   -1.0097372953   0.3521823876   0.4045438907
C   -2.3421903993  -1.6596696435  -0.4104483171
C   -3.7951085480   1.6319683340   1.0740776215
C   -3.4650519043   1.1331809748  -1.3244141237
C   -4.8889558527  -0.3467814192   0.0580140237
C   -0.3180231617   0.6096388196  -0.9415004145
C    1.1003930095   1.0488410080  -0.7054825968
C   -0.2826585307  -2.9651019458  -1.0121552819
C    1.4214586323   2.3987301028  -0.5977900275
C    2.1178833092   0.1144591096  -0.5276471360
C    0.2406880933  -3.5673403558   0.8971829431
C    2.7164482039   2.8131315551  -0.3210358487
C    3.4188232885   0.5069279491  -0.2523449885
C    3.7059507179   1.8590205072  -0.1493584414
H   -0.3151146660  -0.2361644453   1.0118291090
H   -1.1028237838   1.3030362504   0.9345063619
H   -3.2288086210  -2.2609024939  -0.2143495016
H   -2.3338083556  -1.4354495578  -1.4754997114
H   -4.0267042236   1.2684694711   2.0742432142
H   -4.6302082435   2.2613029365   0.7594803578
H   -2.9212167116   2.2814049266   1.1440203973
H   -4.4214850926   1.5697436496  -1.6183364008
H   -3.1923572156   0.4201683065  -2.1041728170
H   -2.7374585220   1.9435252368  -1.3385136731
H   -5.7546043420   0.3104854134  -0.0439081946
H   -4.9305880505  -1.0456019598  -0.7792905570
H   -5.0186019877  -0.9142541959   0.9794959438
H   -0.8355174842   1.3766292738  -1.5138541359
H   -0.3148801791  -0.2852381393  -1.5661920261
H   -1.9530962982  -1.4469499288   2.0318160869
H   -0.3415972170  -2.7982023438  -2.0762100406
H    0.6500769673   3.1473116139  -0.7326439675
H    1.8995721476  -0.9442995640  -0.6069085383
H    0.7702224535  -4.0228124491   1.7188974969
H    2.9460113963   3.8670203559  -0.2424084078
H    4.1954478857  -0.2341667020  -0.1211804410
*