! 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  -5.4391054044  -0.7566432690  -0.2531447842
O    3.2661490801   1.4419816883   1.0137010033
O    1.8008777833  -1.4942238137  -1.9526283540
N    2.4979632204  -0.3324132026  -0.1346707856
N    0.5077739232  -1.5936926514  -0.0947018323
N   -1.5992012688  -2.1708599970   0.1872646258
C    2.2470715303   0.4762643054   1.0985737209
C    3.8128479403   0.0179140513  -0.7259178518
C    4.3897023341   0.8281352798   0.4330222496
C    0.9126249518   1.2179223078   1.1120113329
C    2.4216242685  -0.3315515838   2.3833858973
C    4.6756787622  -1.2037785520  -1.0052873040
C    3.6786301623   0.9001105932  -1.9654880428
C    0.6376579139   2.1198807297  -0.0826186199
C    1.6553944086  -1.1273906604  -0.8051966443
C   -0.6710667476   2.9058049588   0.0660500959
C   -1.8918563577   2.0322694248   0.0011665075
C    0.4843852785  -2.4783647135   0.9588743613
C   -0.7766327836  -1.4708060806  -0.5344062081
C   -2.4413181253   1.6811652242  -1.2297755197
C   -2.4788124354   1.5121280802   1.1515543434
C   -0.8248346051  -2.8118058792   1.1159868286
C   -3.5330787971   0.8310712238  -1.3185240432
C   -3.5663504049   0.6548144893   1.0836612424
C   -4.0827184316   0.3174400415  -0.1552973072
H    4.9156323166   0.1848218912   1.1501802402
H    5.0841292961   1.5993772797   0.0999895643
H    0.9170744088   1.8262739028   2.0223477689
H    0.1033911112   0.5007154701   1.2520730564
H    3.2777304732  -1.0051341037   2.3399857313
H    1.5395086910  -0.9222749985   2.6168586995
H    2.5743883590   0.3574886246   3.2148319027
H    4.3471325107  -1.7552343417  -1.8837136821
H    4.6879148668  -1.8851715324  -0.1533705946
H    5.7031557121  -0.8826814150  -1.1860490610
H    3.1883543091   0.3817154191  -2.7861927799
H    3.1195566211   1.8117183498  -1.7524194226
H    4.6719357380   1.1946680245  -2.3080020748
H    1.4530536369   2.8361808635  -0.1977689170
H    0.5997125930   1.5440078102  -1.0120984563
H   -0.7182918179   3.6532073911  -0.7289148324
H   -0.6545435056   3.4572722939   1.0100249343
H    1.3766014585  -2.8174715254   1.4556441962
H   -1.0404563163  -0.8357537745  -1.3655079322
H   -2.0127262630   2.0785372839  -2.1426780938
H   -2.0834912274   1.7767883841   2.1252180918
H   -1.2481545050  -3.4876172844   1.8428302058
H   -3.9459860200   0.5730419032  -2.2846887775
H   -4.0011668888   0.2544286101   1.9895353848
*