! 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   4.7386693377   2.0357113477  -2.2922816046
O   -0.2633147786  -0.8304212947  -0.6815266455
N   -2.0610430759   1.2665950471   0.3144491717
N   -1.7955255241   1.6272042677  -0.9462892837
N   -3.9009852757   2.1685361604  -0.4120469145
C   -0.7746633518  -0.8441367242   0.6321705142
C   -2.0507023409  -1.7519287766   0.8364834976
C    0.3007836520  -1.4801913924   1.5425865383
C   -1.6518705730  -2.7508450935   1.9397821734
C   -0.4970750922  -2.0985860175   2.6790368808
C   -2.6183260786  -2.4492113573  -0.4083517299
C   -1.0647577839   0.5879713787   1.1119343071
C    1.4580633148  -0.6023757387   2.0225627771
C   -3.6888636562  -3.4644374621  -0.0042561248
C   -3.2441403262  -1.4878359517  -1.4149482960
C    2.2783280239   0.0526097256   0.9437283451
C   -3.3179018226   1.5874143229   0.6122694557
C    2.4740529699   1.4295631508   0.9336936607
C    2.8803879136  -0.6997257250  -0.0631110508
C    3.2289096289   2.0510863903  -0.0525601299
C    3.6392445494  -0.1017212995  -1.0549426363
C   -2.9280880455   2.1570432708  -1.3382741498
C    3.8015566139   1.2763290227  -1.0447805684
H   -2.8595659768  -1.1273626153   1.2375029949
H    0.7214739238  -2.3094268101   0.9602974169
H   -1.2959489726  -3.6822708634   1.4883214728
H   -2.4885925181  -3.0096094708   2.5888640677
H   -0.8527077207  -1.3261500800   3.3691480987
H    0.0903355346  -2.8061205112   3.2660922603
H   -1.8062084042  -2.9962153499  -0.8999225742
H   -0.1649844163   1.1998090220   1.0786853551
H   -1.4226468796   0.5815864671   2.1401528801
H    2.1135526717  -1.2452000810   2.6184835212
H    1.0946121037   0.1600553903   2.7165821842
H   -0.6459979553  -0.0939794141  -1.1767724280
H   -4.1188114700  -3.9399876926  -0.8877469559
H   -3.3037469136  -4.2614762375   0.6312049485
H   -4.5069201604  -2.9780999985   0.5339416497
H   -4.0483821599  -0.9113277873  -0.9510803355
H   -3.6855303618  -2.0418569321  -2.2458969006
H   -2.5376066110  -0.7860711053  -1.8505215386
H   -3.7576012844   1.4037454176   1.5795136832
H    2.0315447167   2.0413932883   1.7110587940
H    2.7605229335  -1.7757450654  -0.0811986371
H    3.3619889335   3.1243207313  -0.0408682291
H    4.0952085595  -0.7033059358  -1.8295563161
H   -3.0495050939   2.5579093900  -2.3320999729
*