! 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  -5.4198012296   3.3361979227   1.5396450718
O    1.9670824864   1.4300462750   0.5753629646
O    3.2991899987  -2.2110426502  -1.5717261801
N    2.6234047828  -0.6109801523  -0.1114851840
N    1.5333061099  -2.6909679857  -0.2337540214
N   -0.1946647949  -4.0480999573  -0.3685065106
C    1.5945875089   0.0801166433   0.7287695191
C    3.7173584115   0.3277851335  -0.4658912921
C    3.3720202248   1.4752664348   0.4796035397
C    0.1578273113  -0.0508861696   0.2318135010
C    1.6892203197  -0.3100351813   2.2009335737
C    5.0988389440  -0.2254866574  -0.1518895555
C    3.6197965061   0.7994866941  -1.9152021653
C   -0.0780994620   0.2892831673  -1.2326820485
C    2.5595528450  -1.8099573129  -0.6948524723
C   -1.5272263107   0.0334224204  -1.6563487326
C   -2.5209419251   0.8459515667  -0.8746324838
C    1.4546085074  -3.3351811508   0.9767317992
C    0.5282867081  -3.1748525640  -1.0094818660
C   -2.6514677128   2.2147639767  -1.1016228969
C   -3.3071970165   0.2676569582   0.1171390923
C    0.3802482556  -4.1622304380   0.8700470809
C   -3.5374718680   2.9869165589  -0.3666165835
C   -4.2004290642   1.0225308710   0.8648613618
C   -4.3065386823   2.3802421017   0.6148511552
H    3.8482063608   1.3459752084   1.4591074901
H    3.6700442392   2.4453495454   0.0836584292
H   -0.4325015390   0.6212501692   0.8609308927
H   -0.2201851685  -1.0490006449   0.4589489442
H    2.7163737687  -0.3106440784   2.5648681940
H    1.2663316155  -1.2929004552   2.3898723871
H    1.1168171790   0.4042699038   2.7932100067
H    5.8240992937   0.5890812871  -0.1858371082
H    5.4191424387  -0.9771235179  -0.8695262228
H    5.1363386977  -0.6597314450   0.8476150265
H    2.6511300317   1.2536178125  -2.1263892576
H    4.3866056404   1.5531953930  -2.0988498926
H    3.7797567638  -0.0109257202  -2.6220756400
H    0.1776772510   1.3342643443  -1.4213181456
H    0.5679328664  -0.3021918772  -1.8866146276
H   -1.7550935312  -1.0300646839  -1.5437243698
H   -1.6236615646   0.2598628374  -2.7205036440
H    2.1748069806  -3.1875001990   1.7626732909
H    0.3738422103  -2.8462954487  -2.0254028837
H   -2.0542359082   2.6933169642  -1.8687073956
H   -3.2277752181  -0.7942302937   0.3159401153
H   -0.0013055013  -4.8404594166   1.6160728730
H   -3.6273967382   4.0471969133  -0.5602081190
H   -4.8032950729   0.5529676035   1.6302295289
*