! 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   5.9330830887   0.0485228887  -0.2688686710
O   -2.6961362251   0.2781727061   1.6591417388
N   -2.1508721340  -1.8182391381  -0.3324443887
N   -2.1619765414  -2.4274037049   0.8603925380
N   -0.5624185359  -3.2994657146  -0.4424812591
C   -3.1586654501   1.8645899662  -0.1241513330
C   -2.4505775692   0.5528330770   0.3028728016
C   -2.4001316321   2.2257923535  -1.4079480541
C   -0.9905668605   0.8247514152  -0.0368484689
C   -0.9376126475   1.8526304370  -1.1337684398
C   -2.9373292827  -0.6323637431  -0.5667875781
C   -2.9198945968   2.9439163096   0.9352141634
C   -4.6580901355   1.7205975495  -0.3510163894
C    0.0081639198   0.1851227116   0.5782550422
C    1.4470868490   0.2243662186   0.3300771382
C   -1.1793156370  -2.3329971823  -1.0818764721
C    2.0988049054   1.1180647707  -0.5267496502
C    2.2363194334  -0.7214515538   0.9961793091
C   -1.1956914676  -3.3052645201   0.7416931900
C    3.4711252835   1.0666612979  -0.7109018471
C    3.6070774218  -0.7864983923   0.8219695021
C    4.2178201437   0.1139577489  -0.0366347782
H   -2.5177286903   3.2793619076  -1.6638518452
H   -2.7880892001   1.6560213871  -2.2557045017
H   -0.3743471706   2.7282765365  -0.8015036485
H   -0.4302250764   1.4839651865  -2.0288085448
H   -2.8664676694  -0.4061559959  -1.6286126268
H   -3.9794359092  -0.8615416628  -0.3459524882
H   -3.4536463857   2.7300396113   1.8612762768
H   -1.8644175948   3.0710902419   1.1845702063
H   -3.2833791371   3.9041977923   0.5651344100
H   -5.1641070251   1.3464227317   0.5411754329
H   -5.0953383746   2.6919938176  -0.5884990989
H   -4.8980581122   1.0537301422  -1.1801588675
H   -2.5526856828  -0.6652484375   1.8266758483
H   -0.2608190950  -0.5038538208   1.3743536779
H   -0.9691941602  -1.9885822517  -2.0818871302
H    1.5511838074   1.8778478659  -1.0622509015
H    1.7621033337  -1.4308478064   1.6637677472
H   -0.9480959092  -3.9822647120   1.5439018696
H    3.9502702213   1.7693138529  -1.3789075685
H    4.1882051452  -1.5309515130   1.3488763149
*