! 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   5.5165348699   1.0035115059   0.0287145252
O   -1.0725159295   0.3947364465   1.2026281676
N   -0.3304512365  -2.0885278672  -0.2554539292
N   -0.0899712812  -2.3290927128   1.0376961487
N   -0.7156592516  -4.2134152381  -0.0010820700
C   -1.3170361532   0.2101923244  -0.1745334857
C   -2.7876400093  -0.1992398798  -0.4413736263
C   -1.1832238814   1.5829367509  -0.8999516945
C   -3.5270634113   1.1345475964  -0.3587950524
C   -2.6223749961   2.1050748739  -1.1066909335
C   -3.4162134311  -1.3353231609   0.3948329785
C   -0.2856893940  -0.7448443184  -0.7907791059
C   -0.2881016293   2.6101838805  -0.1980605889
C   -3.9629042350  -0.9058350632   1.7545564686
C   -4.5241202464  -2.0082978526  -0.4119906296
C    1.1616195872   2.2193294134  -0.1172322615
C   -0.7103112205  -3.2129911505  -0.8541686577
C    1.9519405208   2.2351987150  -1.2652327278
C    1.7545443587   1.8205266486   1.0771866863
C    3.2871718428   1.8627299263  -1.2340714711
C    3.0903283503   1.4488911988   1.1320781016
C   -0.3360357690  -3.6131541543   1.1378760583
C    3.8457440263   1.4690967827  -0.0286506734
H   -2.8186504713  -0.5194428782  -1.4924764994
H   -0.7441095579   1.3957923794  -1.8846439018
H   -3.6280649104   1.4460136880   0.6829427765
H   -4.5338032848   1.0867460718  -0.7773837768
H   -2.8669425757   2.1079505145  -2.1702516419
H   -2.7386285844   3.1315454063  -0.7542846953
H   -2.6650649720  -2.1032552219   0.5908488038
H    0.7220734221  -0.3558327879  -0.6423301858
H   -0.4499060799  -0.8289627429  -1.8635621110
H   -0.6761369578   2.8363456515   0.7957452827
H   -0.3623253519   3.5380566564  -0.7723506841
H   -0.8732209109  -0.4633470986   1.6015984356
H   -4.3002557323  -1.7831688034   2.3104616036
H   -3.2184611766  -0.3981849628   2.3660708989
H   -4.8230812558  -0.2407436235   1.6556832797
H   -4.9905741970  -2.8154401279   0.1559097040
H   -4.1381446172  -2.4379194796  -1.3384782267
H   -5.3111792363  -1.2984013659  -0.6770160085
H   -0.9610092000  -3.2620313573  -1.9018491698
H    1.5221445130   2.5477005556  -2.2097145097
H    1.1702601410   1.7963417187   1.9869130777
H    3.8806255050   1.8859166103  -2.1380130948
H    3.5311022555   1.1453651132   2.0720246167
H   -0.2285787392  -4.1329575892   2.0768098896
*