! 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   5.3232775505  -3.0280181616   0.8453186350
O   -1.9111797796   1.0535566898  -1.7701020163
N   -0.8893028219   2.6605171809   0.4213254534
N    0.1032477087   2.5846728404   1.3132852066
N    0.6455411667   4.0040072892  -0.3351342638
C   -1.9815559626   0.6041599405  -0.4309001710
C   -3.1698145722  -0.3764634174  -0.2073693129
C   -0.7046664689  -0.2324078669  -0.0996063416
C   -2.5970302916  -1.4381896322   0.7295463917
C   -1.2008925396  -1.6529811880   0.1679630833
C   -4.5250512273   0.2155978888   0.1979530294
C   -2.0655929988   1.8204321071   0.5063982112
C    0.4201839422  -0.1431281476  -1.1320252210
C   -5.5270547500  -0.8970679480   0.4962950076
C   -5.1027538159   1.1258118854  -0.8853367752
C    1.6518437565  -0.8613014148  -0.6586328019
C   -0.5482981510   3.5030797837  -0.5536166339
C    2.4728559914  -0.2925448935   0.3137582678
C    1.9944499153  -2.1157457706  -1.1534456944
C    3.5997131402  -0.9487991146   0.7825178199
C    3.1191840762  -2.7905585425  -0.6983344900
C    0.9963387526   3.4016806804   0.8162548781
C    3.9130793546  -2.1984067837   0.2694052142
H   -3.3190940631  -0.8738064671  -1.1765161373
H   -0.3028521378   0.1379988624   0.8477899943
H   -3.1912882768  -2.3514823079   0.7434017966
H   -2.5488072634  -1.0664279475   1.7592298427
H   -0.5411861150  -2.2027198717   0.8393402190
H   -1.2643037360  -2.2244817114  -0.7636902784
H   -4.4037464433   0.8000889307   1.1170188067
H   -2.1612401891   1.5077060286   1.5449280104
H   -2.9294540221   2.4446241211   0.2780995454
H    0.6719325516   0.9018403492  -1.3303348872
H    0.0925770550  -0.5733694290  -2.0805650046
H   -2.7729550887   1.3927955953  -2.0316670272
H   -5.2295888641  -1.5056240609   1.3503703945
H   -5.6439920717  -1.5634956882  -0.3623373733
H   -6.5099193169  -0.4805986038   0.7235950908
H   -6.0980129523   1.4759330596  -0.6070588116
H   -5.1997661141   0.5918060271  -1.8342120119
H   -4.5094970404   2.0241897069  -1.0681544280
H   -1.1956956059   3.7432758900  -1.3810068611
H    2.2312370693   0.6849724126   0.7156762983
H    1.3774880573  -2.5800468884  -1.9132581211
H    4.2248038534  -0.4885077437   1.5356957277
H    3.3690056345  -3.7643172063  -1.0974743537
H    1.9377259331   3.5783853901   1.3130263394
*