! 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   4.7606412194   4.3970192645   1.4527436853
O   -1.4175082747  -0.7750499748  -1.8489163954
N   -1.7608915685  -3.3390542351  -0.5844752382
N   -2.4258742434  -4.0515007269   0.3296847725
N   -3.1212072784  -4.5896170622  -1.7323247519
C   -1.2619204752  -0.8930560256  -0.4463433964
C   -2.5551644061  -0.4373108919   0.2941695322
C   -0.2045733245   0.1092914352   0.0676969193
C   -2.4562591426   1.0977102453   0.1622479039
C   -0.9582406163   1.4494182093   0.1133463150
C   -0.7971786326  -2.3258139291  -0.2072192142
C    1.0915733657   0.1547233537  -0.7430633659
C   -2.5289582072  -0.8237938792   1.7754409492
C   -3.8604310336  -0.9442895084  -0.3138806828
C    2.0331858065   1.2004715569  -0.2153731015
C   -2.1870315703  -3.6698015375  -1.8030771797
C    2.2118959746   2.4088637742  -0.8819890100
C    2.7235046868   1.0018371500   0.9789608627
C    3.0468692560   3.3970490090  -0.3790465923
C    3.5625757979   1.9752226624   1.4988620317
C   -3.2274131208  -4.7796912917  -0.4047808254
C    3.7149720659   3.1703412520   0.8123238552
H    0.0592598051  -0.1792255752   1.0895419276
H   -2.9765585538   1.5905552743   0.9842973286
H   -2.9589983130   1.4348469706  -0.7487495450
H   -0.7342934247   2.0482078561  -0.7731362500
H   -0.6448746830   2.0466391037   0.9689260342
H   -0.5590445849  -2.4853517261   0.8412494840
H    0.1187554305  -2.5103384611  -0.7707245826
H    0.8697857542   0.3628396182  -1.7910170751
H    1.5841976583  -0.8209987138  -0.7102450234
H   -3.3975553270  -0.3945239730   2.2785600608
H   -2.5776981665  -1.9038529921   1.9176145517
H   -1.6462514388  -0.4571219151   2.3009709597
H   -4.0262796324  -2.0058546583  -0.1308133292
H   -4.6995864681  -0.4146843726   0.1418701968
H   -3.9196842592  -0.7729735980  -1.3882217973
H   -1.7550073979   0.1013364888  -2.0646539359
H   -1.7886187969  -3.2402154117  -2.7068137367
H    1.6932190961   2.5897399474  -1.8155699552
H    2.6092880710   0.0688824239   1.5183248135
H    3.1710477565   4.3290590314  -0.9138352682
H    4.0909987623   1.8013429583   2.4265058326
H   -3.9130295158  -5.4850518074   0.0384271050
*