! 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  -6.9114784229   3.9503808320   0.4789231349
O    1.4553018369   0.9436489524   0.0288970691
O    1.3071476850  -3.0611859842   1.0338125164
N    2.1881145837  -1.1870959201   0.0978687732
N    3.2736788931  -3.2577324675  -0.0770149736
N    4.5250351456  -4.4261246334  -1.4589790998
C    1.0011267892  -0.3313585247   0.4118313920
C    3.3574855416  -0.3391761645  -0.2664099081
C    2.8371474125   0.9937417826   0.2715482328
C   -0.1858880848  -0.7140394208  -0.4720280730
C    0.6589212788  -0.3305467015   1.9007742072
C    4.6561642306  -0.7028766052   0.4379114948
C    3.5579226608  -0.2361376931  -1.7748068873
C   -1.4941770563   0.0292018675  -0.2053740880
C    2.1737872418  -2.4883171277   0.4074357761
C   -1.4909592752   1.5243308867  -0.5348897288
C   -2.8387195518   2.1443836930  -0.2976375839
C    4.0810676929  -4.0462857436   0.7049803675
C    3.5720927218  -3.5445073248  -1.3724268669
C   -3.8246513303   2.1375200900  -1.2811882135
C   -3.1481150521   2.7145373703   0.9347806845
C    4.8606993348  -4.7374097628  -0.1691332145
C   -5.0778335032   2.6867498007  -1.0523228511
C   -4.3944858779   3.2687973231   1.1849700460
C   -5.3515814390   3.2506578898   0.1834900872
H    3.0634745306   1.1062941590   1.3401550201
H    3.2603286514   1.8495444434  -0.2546412170
H   -0.3842086441  -1.7779752449  -0.3351770550
H    0.1104165361  -0.5835779257  -1.5171673454
H    0.1256989194  -1.2267674243   2.2046384278
H    0.0215757245   0.5268968224   2.1200272046
H    1.5491270446  -0.2436357702   2.5248865367
H    5.1792187628  -1.5389189917  -0.0219167609
H    4.5024933746  -0.9233405974   1.4949585741
H    5.3290080451   0.1553604070   0.3816139967
H    4.3000082018   0.5339702642  -1.9910963512
H    3.9303677852  -1.1609187747  -2.2095565389
H    2.6359681166   0.0358131334  -2.2893260706
H   -2.2651780976  -0.4547266740  -0.8114495083
H   -1.8070353262  -0.1184409216   0.8318181570
H   -1.1956072395   1.6612821458  -1.5787032398
H   -0.7489485137   2.0475498264   0.0685269994
H    4.0470440903  -4.0189775575   1.7809774836
H    3.0282211735  -3.1107480377  -2.1962319464
H   -3.6148586331   1.7030063832  -2.2515220741
H   -2.4009016186   2.7354582795   1.7195514921
H    5.6449137838  -5.4411700863   0.0620797583
H   -5.8271973213   2.6773592335  -1.8324837052
H   -4.6097064793   3.7124454799   2.1478316825
*