! 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   4.3622267568   4.9294420222   0.9384270308
O   -1.2532622828  -1.6397816093   1.4892217504
N   -1.5798723655  -3.2845160973  -0.9215009511
N   -2.1453131137  -3.6595372551  -2.0727588735
N   -2.5969204413  -5.1539528847  -0.4650306955
C   -1.2490001949  -1.0362474538   0.2143514728
C   -2.6340443524  -0.3776737549  -0.0558285657
C   -0.2954565398   0.1827250541   0.1405300375
C   -2.3070381325   0.5912034037  -1.2044366075
C   -0.8498193809   1.0463535411  -0.9998808254
C   -0.7981978844  -2.0642752735  -0.8379707207
C    1.2019888501  -0.1153882346   0.0275266243
C   -3.0958873424   0.4181852199   1.1725538588
C   -3.7722677940  -1.3230156763  -0.4304974537
C    2.0172443271   1.1282602073   0.2454480829
C   -1.8549024297  -4.1847518289   0.0210954061
C    2.2438181390   1.6057998913   1.5346825655
C    2.5322938601   1.8544984392  -0.8237270165
C    2.9617718042   2.7699363117   1.7585078363
C    3.2523697200   3.0241322360  -0.6217502425
C   -2.7442503581  -4.7754226585  -1.7462503192
C    3.4605050951   3.4719740354   0.6719166688
H   -0.4339196250   0.7157731687   1.0855592085
H   -3.0099986218   1.4257014351  -1.2236790798
H   -2.4123320304   0.0821281568  -2.1658243857
H   -0.2697106297   0.8986941978  -1.9143237661
H   -0.7759736955   2.1069199955  -0.7587122576
H    0.2314336572  -2.3587546938  -0.6242936674
H   -0.7963052568  -1.6359117553  -1.8387653231
H    1.4399839250  -0.5335047154  -0.9531830355
H    1.4956754835  -0.8647517834   0.7701435931
H   -2.3764918272   1.1648297049   1.5112510181
H   -4.0119493709   0.9571903023   0.9208827502
H   -3.3259237002  -0.2293104684   2.0189495321
H   -3.9352482980  -2.0978013583   0.3216209149
H   -4.7011146284  -0.7529424038  -0.5052245482
H   -3.6256701759  -1.8054551609  -1.3950357298
H   -0.3543552374  -1.9073306993   1.7146000356
H   -1.4931703838  -4.1198552452   1.0326129878
H    1.8587213438   1.0581019470   2.3867177904
H    2.3764223892   1.5061768932  -1.8373847637
H    3.1306700072   3.1195654977   2.7678936170
H    3.6450354447   3.5736629754  -1.4664230638
H   -3.3062591758  -5.3452191314  -2.4695901138
*