! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -6.3808059820   3.9392800040   1.0556705268
O    2.0670201986   0.9834166428   0.7918568364
O    4.4069167145  -2.4651828292  -0.7049944310
N    2.8982241570  -0.8439059025  -0.2209485342
N    2.3018257539  -3.1188096021  -0.1603034485
N    0.7315109046  -4.5857634384  -0.6357423794
C    1.6731493647  -0.3263971868   0.4649378846
C    3.8299630492   0.2697534950  -0.5241134420
C    2.9027965083   1.4493443756  -0.2384532407
C    0.4721133854  -0.3002002196  -0.4911313245
C    1.3606719789  -1.0255480216   1.7773306592
C    5.0139481767   0.2959512874   0.4408335330
C    4.2869695949   0.2856895836  -1.9749217193
C   -0.7024297973   0.5277698226   0.0159807467
C    3.2942784312  -2.1098257417  -0.3796333012
C   -1.8603760072   0.5235990068  -0.9840396205
C   -3.0089372191   1.3655901777  -0.5076304244
C    2.3725510690  -4.0902351760   0.8079082891
C    1.3102792427  -3.4845186678  -1.0169482249
C   -4.0449203794   0.8114524100   0.2392549714
C   -3.0392598520   2.7356645514  -0.7566550750
C    1.3781165149  -4.9683885954   0.5083900232
C   -5.0841963395   1.5922878850   0.7238866667
C   -4.0683663156   3.5340824665  -0.2811138933
C   -5.0857920926   2.9520592293   0.4584400911
H    3.4426181253   2.3278285844   0.1149264992
H    2.3307775676   1.7401499133  -1.1287812388
H    0.1309837761  -1.3217874496  -0.6605506941
H    0.7872116180   0.0780588155  -1.4685283387
H    0.8507315629  -1.9754921873   1.6379152580
H    0.6995858650  -0.3931504418   2.3699418468
H    2.2653048546  -1.1923805014   2.3625359823
H    5.6209013892   1.1816432330   0.2464673372
H    5.6566374495  -0.5737982406   0.3261589965
H    4.6808290467   0.3428133605   1.4787500729
H    4.7232602032   1.2602973796  -2.2017310478
H    5.0435003300  -0.4675822611  -2.1834833268
H    3.4495457000   0.1330392852  -2.6572354441
H   -1.0624053064   0.1382197939   0.9723487312
H   -0.3905854487   1.5588665351   0.1976003135
H   -2.1965543707  -0.5033505839  -1.1490584108
H   -1.5058928370   0.8945289567  -1.9496515689
H    3.0879597894  -4.0518917245   1.6122579882
H    1.0840979287  -2.9239989991  -1.9107375687
H   -4.0486260340  -0.2518942610   0.4479920366
H   -2.2471694801   3.1946605232  -1.3366877343
H    1.0940665719  -5.8543967850   1.0542091652
H   -5.8820395085   1.1414429450   1.2987755554
H   -4.0748477894   4.5958370094  -0.4884329348
*