! 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    0.8845510693   0.5417221264  -1.2696581973
N    0.8726441221  -2.2164184578  -0.4282821508
N    0.8046601549  -2.9412158001   0.6913155067
N   -1.0727639940  -3.1835187832  -0.5123301529
C    3.2437250139   0.7980304719  -0.5171040810
C    1.8702812517   0.0656516663  -0.3931151144
C    3.9864192780   0.3164985046   0.7409024323
C    1.5864934901   0.2168608174   1.0865268736
C    2.9015318578   0.0543358094   1.8051424413
C    2.0322100608  -1.4189590199  -0.7501825898
C    3.0172100970   2.3099898928  -0.4351210096
C    3.9989434825   0.4872189539  -1.8021202512
C    0.4465008783   0.5255665875   1.6968029783
C   -0.2544766380  -2.3602995092  -1.1243906933
C   -0.3756372393  -3.4976329976   0.5948931231
H    4.7168428953   1.0554263728   1.0723672080
H    4.5484752023  -0.5954989613   0.5297244521
H    2.9715131269   0.7377016886   2.6513798024
H    2.9918678160  -0.9553706257   2.2125842031
H    2.8792677048  -1.8673542779  -0.2361045185
H    2.2149841011  -1.5164235715  -1.8203397380
H    2.4764161383   2.6108004679   0.4653668416
H    3.9786222667   2.8253642903  -0.4171884868
H    2.4711926225   2.6925229280  -1.3000295337
H    4.9218547352   1.0686987984  -1.8434603997
H    4.2837955495  -0.5625837977  -1.8825175616
H    3.4127291789   0.7471230404  -2.6858835486
H    0.6182781463   1.4285016402  -1.0074067406
H   -0.4283142128  -1.8763768855  -2.0714191110
H   -0.7447541501  -4.1690845317   1.3544430104
C   -0.8794600752   0.7719721133   1.0859418517
C   -3.3987702806   1.2587881090   0.0086284574
C   -1.2057324159   2.0240782209   0.5671200051
C   -1.8563658494  -0.2190413208   1.0815456889
C   -3.1125047599   0.0126412841   0.5423239853
C   -2.4554267039   2.2733775430   0.0196348786
H   -0.4766133581   2.8257683616   0.5915510388
H   -1.6371104539  -1.1904818032   1.5038925602
H   -3.8550210817  -0.7735667852   0.5381289204
H   -2.6855680814   3.2479520286  -0.3885921144
Cl  -4.9635472936   1.5560837613  -0.6769452493
H    0.4760942053   0.6211184431   2.7802692584
*