! 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   3.9728171480   3.3324028262   1.1229461121
O   -2.5776805711  -0.7955248425  -1.2883405149
N   -0.9570664859   1.1915178708   0.1823411864
N   -1.3614818259   1.6649089238  -1.0009049900
N   -0.2326824327   3.2414965217   0.1137401238
C   -1.4999742365  -1.1697194750  -0.4512193209
C   -1.8119614218  -2.5544478731   0.1430465107
C   -0.2770972658  -1.4701576872  -1.3536762849
C   -1.6830360882  -3.4892532280  -1.0666304147
C   -0.7060444681  -2.7885879720  -2.0321224930
C   -3.0652106331  -2.7377586861   1.0144639629
C   -1.3138702633  -0.1346622843   0.6571697092
C    1.0742068452  -1.6440560459  -0.6451607019
C   -4.4086363647  -2.5619220828   0.3122929352
C   -3.0143293002  -4.1111003518   1.6835943388
C    1.7697425623  -0.3884943555  -0.1947386718
C   -0.2832205928   2.1398770065   0.8283561081
C    2.0314920270   0.6467923907  -1.0911631857
C    2.2166923387  -0.2473716705   1.1152946839
C    2.7067883130   1.7890052572  -0.6961167841
C    2.9001936651   0.8879300794   1.5305331948
C   -0.8965710954   2.8898948304  -0.9988823448
C    3.1363009572   1.9001834599   0.6173416937
H   -0.9723486710  -2.7743286665   0.8130368454
H   -0.1687127365  -0.6796013734  -2.1015825976
H   -2.6496528045  -3.6472631474  -1.5472432956
H   -1.3227756724  -4.4732461233  -0.7655641923
H    0.1618466158  -3.4111342974  -2.2549413431
H   -1.1902704943  -2.5849311984  -2.9870281805
H   -3.0164899354  -1.9945250845   1.8185334425
H   -0.5421682124  -0.4461674088   1.3598372245
H   -2.2436312652  -0.0518526681   1.2238970170
H    1.7371403648  -2.1475375450  -1.3546415059
H    0.9843341022  -2.3310988237   0.1999190532
H   -2.3572673689   0.0780448662  -1.6482438858
H   -4.5281903101  -3.2589205799  -0.5200205905
H   -5.2209194409  -2.7625709148   1.0141952556
H   -4.5507040330  -1.5556253597  -0.0737329496
H   -2.0804619347  -4.2610588489   2.2294585894
H   -3.1030265383  -4.9186873185   0.9535085815
H   -3.8327228096  -4.2281524767   2.3960993806
H    0.1347125331   1.9948640889   1.8116327956
H    1.7069812776   0.5672887818  -2.1213947347
H    2.0332650668  -1.0378703308   1.8333882175
H    2.8931669768   2.5837263025  -1.4054658857
H    3.2379859549   0.9764401927   2.5544609808
H   -1.0517948532   3.5530932849  -1.8354340246
*