! 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  -5.8550548286   2.6767380082  -2.2740786566
O    2.8442856256   1.3981677188   0.9001885153
O    1.9476163682  -2.1897671624  -1.5365798673
N    2.6137230929  -0.6518259181  -0.0054708413
N    1.4122666724  -2.5640470983   0.6359226388
N    1.2131463485  -4.0023700608   2.2904863742
C    2.4360957275   0.1032730828   1.2774880606
C    3.3587513812   0.1700957779  -0.9919248184
C    3.8683132608   1.2635429526  -0.0583128261
C    0.9917411674   0.2063562822   1.7613758594
C    3.3446543383  -0.4066072549   2.3923659234
C    4.5208995854  -0.5760306775  -1.6279691480
C    2.4392999980   0.7757167851  -2.0506456552
C   -0.0198793092   0.6741326735   0.7254760082
C    2.0123260780  -1.7784670147  -0.3954217553
C   -1.4242255271   0.7012351618   1.3107938208
C   -2.5029698060   1.2046135015   0.3867964773
C    0.0817325526  -2.9038328854   0.6939430628
C    2.0461098164  -3.2693994460   1.6083966847
C   -3.7655694436   1.4918886232   0.9071137991
C   -2.3073673511   1.3885637406  -0.9783769512
C   -0.0182074060  -3.7728272935   1.7342687689
C   -4.7990652968   1.9416951350   0.1030052900
C   -3.3307662925   1.8393728091  -1.8029292104
C   -4.5706918599   2.1120003913  -1.2545362212
H    4.8233449200   0.9843593382   0.4036425058
H    4.0039175748   2.2167022492  -0.5682612055
H    1.0045441842   0.9113703270   2.5977441981
H    0.6772872099  -0.7439967133   2.1952558863
H    4.3594134850  -0.6012887856   2.0459339549
H    2.9660518363  -1.3166570207   2.8500343102
H    3.3925009514   0.3471204591   3.1786453551
H    4.1951853330  -1.2996000475  -2.3715592184
H    5.1218142581  -1.0924776854  -0.8786321088
H    5.1688754248   0.1423346477  -2.1326521634
H    1.6406339359   1.3664907088  -1.6010749676
H    3.0208082705   1.4414485222  -2.6899687920
H    1.9888028837   0.0188245682  -2.6876255780
H    0.2483145926   1.6702359745   0.3664921617
H   -0.0049116060   0.0172380221  -0.1488593415
H   -1.4269096231   1.3157637851   2.2156797461
H   -1.6937471582  -0.3069737750   1.6440734968
H   -0.6525027698  -2.4960567895   0.0197081424
H    3.1161137494  -3.2412791169   1.7364837112
H   -3.9484058573   1.3637318134   1.9673057624
H   -1.3463829202   1.1846375033  -1.4313671779
H   -0.9104752322  -4.2450403716   2.1120891558
H   -5.7679274034   2.1585904409   0.5318006082
H   -3.1524788523   1.9746714304  -2.8609828917
*