! 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  -6.0397853303   1.5871918703  -2.0002399790
O    2.8164919951   1.6490406480  -0.3239380997
O    2.0107205624  -1.3061337439   2.4508910068
N    2.3809577963  -0.4455347066   0.3833772934
N    1.7225705564  -2.6774499992   0.6633192194
N    0.4700004022  -4.2763736352  -0.1857091359
C    2.5838685804   0.9473193253   0.8744585281
C    2.7673236664  -0.5626381567  -1.0484564538
C    3.4945180516   0.7767295116  -1.1963634643
C    1.3399267573   1.5385713683   1.5324094732
C    3.7982939757   1.0570068961   1.7917100112
C    3.7309355636  -1.7024718292  -1.3452542602
C    1.5671767700  -0.6061541510  -1.9886051127
C    0.0560009326   1.4180830407   0.7255841249
C    2.0594566442  -1.4137958570   1.2411956306
C   -1.1302267664   2.0552073225   1.4513339653
C   -2.3840260093   1.9609465749   0.6311196051
C    2.4129244562  -3.8492762610   0.8524798116
C    0.5536290424  -2.9983216408   0.0508402480
C   -2.7619002021   2.9958893126  -0.2197150573
C   -3.1660732399   0.8083771254   0.6523020068
C    1.6320961749  -4.8157134942   0.3007593757
C   -3.8833970036   2.8922374415  -1.0297752636
C   -4.2903372396   0.6838017880  -0.1501302540
C   -4.6381184709   1.7312596256  -0.9884444955
H    4.5542280079   0.6808904206  -0.9298710307
H    3.4352342391   1.1688079336  -2.2108251667
H    1.5572578647   2.5949134805   1.7169231649
H    1.2058291627   1.0870595947   2.5159594969
H    3.9840073562   2.1084687838   2.0124403194
H    4.6967069898   0.6445349915   1.3312622271
H    3.6396127270   0.5418496888   2.7349706709
H    3.2373869225  -2.6684065345  -1.4310746729
H    4.5179628577  -1.7761857021  -0.5938956096
H    4.2113167845  -1.5074736537  -2.3055316473
H    1.0195356004  -1.5434226854  -1.9182190051
H    0.8722519948   0.2121953227  -1.8046493021
H    1.9174326410  -0.5209704322  -3.0178903747
H    0.1739505019   1.8949644571  -0.2500945931
H   -0.1795424503   0.3673870028   0.5327161009
H   -0.9060553210   3.1026342425   1.6673670221
H   -1.2755237227   1.5585023667   2.4140610092
H    3.3811281315  -3.8794341405   1.3231802194
H   -0.2110066788  -2.2666184796  -0.1583879748
H   -2.1727030533   3.9042105977  -0.2556844823
H   -2.8972846433  -0.0122691604   1.3067221609
H    1.8456988819  -5.8697097349   0.2263959744
H   -4.1613587892   3.7086160883  -1.6824482867
H   -4.8852372938  -0.2188637333  -0.1183034143
*