! 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  -4.2539065419  -1.4471773293  -0.3421455411
O    3.3624077668   1.6396258402   0.2859059364
O    0.3728079704  -0.6646122030   1.9582697138
N    1.8264738527  -0.0034315500   0.3371783919
N    0.2783077490  -1.7261713764  -0.0360946189
N   -0.5537949859  -3.6733465211  -0.6385197770
C    2.3265187795   1.1678784004   1.1135625480
C    2.8078881912  -0.3881218486  -0.7170862548
C    3.9760297743   0.5062110593  -0.2829908292
C    1.2688235508   2.2553584328   1.2508767816
C    2.8886738274   0.7791705342   2.4810786374
C    3.2253002302  -1.8510466652  -0.6578390120
C    2.3821879135  -0.0052980956  -2.1304758032
C    0.7778384511   2.8760597805  -0.0553137175
C    0.8355522701  -0.7543967606   0.8390511639
C   -0.6723876630   3.3740170477   0.0367137603
C   -1.6485732304   2.2332330970  -0.0314881293
C   -0.3485295870  -1.5216611010  -1.2408164960
C    0.1038603092  -3.0356680515   0.2857399237
C   -2.0741126613   1.7550902797  -1.2706255106
C   -2.0960447419   1.5746412132   1.1103651552
C   -0.8548119510  -2.7325507327  -1.5904349880
C   -2.8927941719   0.6421648277  -1.3752571840
C   -2.9032361651   0.4485347460   1.0263113134
C   -3.2865910603  -0.0145923904  -0.2199205611
H    4.6236268815  -0.0093614780   0.4374552194
H    4.5917714543   0.8197785894  -1.1257562806
H    1.6800406053   3.0385808805   1.8938145640
H    0.4390904685   1.8298947038   1.8151899075
H    3.5364647429  -0.0965819450   2.4312030474
H    2.1015078231   0.5686896901   3.1992141972
H    3.4761465477   1.6133498640   2.8667401492
H    2.4950742018  -2.5206045123  -1.1092687459
H    3.4161159091  -2.1764508837   0.3661500844
H    4.1530434666  -1.9722815946  -1.2189921881
H    2.0970887000   1.0442194765  -2.2033289121
H    3.2227793279  -0.1657106442  -2.8072118511
H    1.5603708927  -0.6138413030  -2.4985809643
H    1.4242703678   3.7097609826  -0.3336405428
H    0.8350552324   2.1590000269  -0.8775501608
H   -0.8626785552   4.0626014869  -0.7888473910
H   -0.8123842099   3.9445145705   0.9584010699
H   -0.4259180453  -0.5513270481  -1.6971942578
H    0.5081842241  -3.4636270073   1.1894394433
H   -1.7517903253   2.2536878055  -2.1771279316
H   -1.8098895767   1.9356831679   2.0904597445
H   -1.4300792263  -2.9740853285  -2.4692062198
H   -3.2018229370   0.2812509573  -2.3468969000
H   -3.2237763944  -0.0579755085   1.9264122527
*