! 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   5.2750188109   0.2075487902  -0.5642399930
O   -1.2464459739   0.0500772362  -1.5127288459
N   -0.2701773112   1.5629675776   0.8062593230
N    0.5896021525   1.7812993402  -0.1955169454
N    1.6087641228   2.0680700421   1.7765823454
C   -1.8182099410  -0.0899421737  -0.2295618338
C   -3.3115312271  -0.4301906539  -0.4289066847
C   -1.2660530183  -1.2989067972   0.6061982277
C   -3.6897327743  -1.1858194384   0.8375052037
C   -2.5033822458  -2.1222763753   1.0127702269
C   -4.2597963608   0.6884902566  -0.8926277177
C   -1.6535529698   1.2201338484   0.5524278986
C   -0.2384286247  -2.1784815446  -0.1096745237
C   -4.8985613200   1.4928279188   0.2380844750
C   -5.3657834962   0.0965589971  -1.7643162784
C    1.1356100429  -1.5825735071  -0.2428140880
C    0.3550010038   1.7268565804   1.9697205414
C    1.9001939397  -1.3296778231   0.8943748443
C    1.6935477319  -1.2881660441  -1.4834836186
C    3.1733588576  -0.7919825980   0.8058402334
C    2.9671288392  -0.7481588330  -1.5947608189
C    1.7005109690   2.0693257457   0.4361162720
C    3.6949592892  -0.5010408943  -0.4440862611
H   -3.2948949264  -1.1790458521  -1.2327167147
H   -0.8003307024  -0.9169554665   1.5202864132
H   -4.6381206421  -1.7174163201   0.7449579851
H   -3.7821350309  -0.5123141109   1.6943682745
H   -2.4095141328  -2.5249527772   2.0216754767
H   -2.6186905221  -2.9756141658   0.3380465886
H   -3.6871045010   1.3783319641  -1.5230148243
H   -2.1395800010   1.1549889567   1.5244681408
H   -2.1037544884   2.0507662510   0.0078029078
H   -0.6191240776  -2.4731612984  -1.0896289836
H   -0.1526200137  -3.1032876547   0.4690886523
H   -0.3840606018   0.4838968124  -1.4306574029
H   -5.5692591507   0.8730391825   0.8365182205
H   -5.4970322507   2.3077829594  -0.1730366882
H   -4.1777660354   1.9428107143   0.9201195400
H   -5.9562845956  -0.6378607286  -1.2109549547
H   -4.9584591343  -0.4033252798  -2.6445691382
H   -6.0526290408   0.8701442653  -2.1125121410
H   -0.1397827085   1.6075455365   2.9207170324
H    1.4996311596  -1.5543603718   1.8758931720
H    1.1304661423  -1.4836853036  -2.3876409640
H    3.7455665288  -0.5960321650   1.7022463055
H    3.3794796193  -0.5217255821  -2.5687674961
H    2.6067933646   2.3081894849  -0.0970428499
*