! 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   5.0080898045   1.3754747550   1.7610600771
O   -0.8278941759  -0.0033694765   1.1292848557
N   -0.6148079959  -2.1055863587  -0.8060279499
N   -0.0863787076  -2.3922731031  -2.0001732904
N    1.0343887606  -3.4612064244  -0.3781907903
C   -1.6437333702   0.0794753641  -0.0189701747
C   -3.0434555908   0.6265101044   0.3590359498
C   -1.1815135597   1.1799364443  -0.9985961941
C   -3.6107648323   1.1175115277  -0.9876438769
C   -2.3978039916   1.3935954147  -1.8951686095
C   -4.0212656423  -0.2614798785   1.1378440415
C   -1.8203473893  -1.3139797263  -0.6576734258
C    0.1301090574   1.0118833535  -1.7650553168
C   -3.4449720244  -0.8183620567   2.4365821527
C   -5.2921451472   0.5285585490   1.4457401554
C    1.3574380315   1.0891993949  -0.8944503141
C    0.0614497107  -2.7520862305   0.1449172999
C    2.2184102736   0.0070386775  -0.7389354988
C    1.6620869120   2.2683473510  -0.2115285783
C    3.3400339917   0.0814171977   0.0777021511
C    2.7787437973   2.3659272951   0.6008711296
C    0.8978134324  -3.1985109979  -1.6902710466
C    3.6095478827   1.2636333969   0.7430111974
H   -2.8413261422   1.5040721907   0.9870133662
H   -1.0792236844   2.0780455208  -0.3767301632
H   -4.2231755950   2.0081612923  -0.8529410286
H   -4.2626502149   0.3580446302  -1.4269919144
H   -2.3767043251   0.7096843445  -2.7477711287
H   -2.4038895965   2.4013206943  -2.3107970078
H   -4.3170159083  -1.1054634461   0.5031003542
H   -2.2718718305  -1.2463464904  -1.6455762228
H   -2.4997092544  -1.9078402706  -0.0485990523
H    0.1770705029   1.8238225469  -2.4968280085
H    0.1316405630   0.0868544765  -2.3431654696
H    0.0981788303  -0.0161372819   0.8624352400
H   -2.6068750619  -1.4953211000   2.2756104826
H   -3.0985859645  -0.0159635368   3.0917210699
H   -4.2098144526  -1.3770086652   2.9796840179
H   -5.0696360270   1.4100502215   2.0525515535
H   -6.0022692667  -0.0831846564   2.0047215496
H   -5.8006181601   0.8679927832   0.5428354171
H   -0.1972341537  -2.7049782232   1.1905238582
H    2.0319645257  -0.9116816835  -1.2787814388
H    1.0218099511   3.1356448375  -0.3195635225
H    3.9919269643  -0.7749964484   0.1831735738
H    2.9992222683   3.2926401969   1.1129691095
H    1.5405843341  -3.6189370435  -2.4478670108
*