! 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   6.3502290226   1.0047553717  -0.3343340693
O   -2.0200736297  -0.7329448170  -1.3655422685
N   -2.7981675637   1.4091620115   0.2791574062
N   -3.6485628635   1.4969865427  -0.7497129622
N   -2.9024815300   3.5308283240  -0.1845297759
C   -1.6745689747  -0.8457356421  -0.0017022629
C   -1.8995505266  -2.2793732273   0.6035526168
C   -0.1391698165  -0.6369895083   0.0689265718
C   -0.4955617242  -2.8572943975   0.7957839596
C    0.3442291741  -1.6311390320   1.1140453240
C   -2.8764979639  -3.1800717399  -0.1572433522
C   -2.4990926923   0.1253284672   0.8733462627
C    0.3598319237   0.7960010281   0.2469043233
C   -2.8596176963  -4.5955662025   0.4157590442
C   -4.3113208663  -2.6563082299  -0.1208757800
C    1.8543740409   0.8787287724   0.1114303979
C   -2.3676721096   2.6271516603   0.6026532328
C    2.6843460261   0.8596496901   1.2285728979
C    2.4476351756   0.9393252727  -1.1473325994
C    4.0656418722   0.8963247499   1.1031207249
C    3.8257028081   0.9790582316  -1.2950109350
C   -3.6743212987   2.7822548506  -0.9928928813
C    4.6249768257   0.9552914935  -0.1628487899
H   -2.3116774464  -2.1413994099   1.6136539110
H    0.2375555365  -0.9936036140  -0.8978568851
H   -0.1359592340  -3.3213852796  -0.1287956035
H   -0.4603775300  -3.6178310626   1.5757660670
H    0.1264730240  -1.2695511840   2.1255890709
H    1.4178263760  -1.8130494838   1.0597652014
H   -2.5522143759  -3.2389763269  -1.2010817914
H   -1.9935307987   0.3005663251   1.8228450626
H   -3.4576144062  -0.3314576125   1.1220676161
H    0.0720005234   1.1779344493   1.2294927018
H   -0.0988428711   1.4440893397  -0.5035337597
H   -2.9373968619  -0.4518695300  -1.4645355438
H   -3.1253564883  -4.5961726116   1.4759787016
H   -3.5823100259  -5.2290720982  -0.1019452123
H   -1.8844175363  -5.0730077576   0.3183033432
H   -4.6726651656  -2.5826247674   0.9080961769
H   -4.9817145873  -3.3340949500  -0.6520649283
H   -4.4372489570  -1.6755381273  -0.5800170635
H   -1.6855460289   2.8148020400   1.4163662197
H    2.2508047572   0.8164323070   2.2202267266
H    1.8257511717   0.9613054402  -2.0343678462
H    4.6932188992   0.8804236235   1.9837625601
H    4.2672558489   1.0306497698  -2.2809526120
H   -4.2772596626   3.1963426645  -1.7854728517
*