! 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   3.9742744863   3.2970469225   1.2579422507
O   -2.6355026878  -0.7050460812  -1.2832368439
N   -0.9669174993   1.0979676268   0.3625061115
N   -1.4288896038   1.7107880407  -0.7321457890
N   -0.3166206345   3.1655251694   0.5513450337
C   -1.5200721625  -1.1716566904  -0.5488473194
C   -1.8168876738  -2.6356280439  -0.1232479862
C   -0.3050744035  -1.3061313035  -1.5032157654
C   -1.2858070856  -3.5020085821  -1.2955414068
C   -0.7029775321  -2.5313601241  -2.3239515981
C   -3.2713301186  -2.9942307627   0.2288945482
C   -1.2756722391  -0.2887176606   0.6779592613
C    1.0475184023  -1.5468845605  -0.8138505733
C   -3.3277080982  -4.4396353617   0.7244137389
C   -3.9306899709  -2.1007000325   1.2744490835
C    1.7586439057  -0.3281517673  -0.2888681350
C   -0.3041232129   1.9760321080   1.1102551340
C    1.9585659503   0.7910532220  -1.0958777763
C    2.2766071511  -0.3022917994   1.0022961864
C    2.6362377829   1.9047941228  -0.6300448488
C    2.9651313859   0.8020612780   1.4865973911
C   -1.0067104655   2.9418545761  -0.5778597812
C    3.1339820668   1.9009899955   0.6635331365
H   -1.2134878125  -2.8421869444   0.7693305001
H   -0.2232821164  -0.4204502060  -2.1389958678
H   -2.0761338173  -4.1110936429  -1.7363558585
H   -0.5235730067  -4.1978233555  -0.9416031887
H    0.1392957540  -2.9523392586  -2.8758479755
H   -1.4590308333  -2.2583157416  -3.0609281357
H   -3.8650111948  -2.9324717679  -0.6890417678
H   -0.4491939587  -0.6747151151   1.2727805303
H   -2.1540638203  -0.2951116951   1.3208462422
H    1.7044970140  -2.0162852091  -1.5526422352
H    0.9506006554  -2.2811449950  -0.0091028827
H   -2.4499158932   0.2191031230  -1.5135113701
H   -2.9210119411  -5.1500717185   0.0041841418
H   -2.7644197367  -4.5545784898   1.6539187905
H   -4.3574378728  -4.7397313626   0.9267880961
H   -4.9201013308  -2.4882181993   1.5257816372
H   -4.0716178974  -1.0784389920   0.9281004069
H   -3.3543417990  -2.0731583603   2.2025020063
H    0.1511700814   1.7162653055   2.0520926368
H    1.5822258271   0.8048717869  -2.1109949195
H    2.1433526985  -1.1590556779   1.6521253889
H    2.7713081486   2.7655721720  -1.2704350954
H    3.3555928892   0.8004613469   2.4952087367
H   -1.2140126652   3.7052985171  -1.3114471726
*