! 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  -4.9711944661   1.3179700386  -2.3682889150
O    2.0780721208   1.5922202130  -0.2884898222
O    1.8379160692  -1.5929271763   2.3427476697
N    1.9481451793  -0.5825948905   0.3117481476
N    1.7250924281  -2.9090398739   0.4978254966
N    0.7633932231  -4.6528642934  -0.4375467928
C    1.8754110321   0.8051301389   0.8605793326
C    2.3083872811  -0.5517308067  -1.1301773276
C    2.8863447124   0.8621215790  -1.1746858015
C    0.4702351128   1.0913452508   1.3851461484
C    2.9746719676   1.0960865846   1.8784726081
C    3.3727280998  -1.5554989335  -1.5470721805
C    1.0859762669  -0.6334890648  -2.0404475385
C    0.2083087363   2.5528518461   1.7276182133
C    1.8481523958  -1.6335144698   1.1302703384
C   -1.2501998795   2.7955032823   2.1336278537
C   -2.2203658492   2.4475509310   1.0391374540
C    2.5735747516  -3.9702370481   0.6947708827
C    0.6417676269  -3.3844211957  -0.1731303925
C   -2.9896920670   1.2891511745   1.0933188912
C   -2.3305871056   3.2543419504  -0.0918492878
C    1.9704593381  -5.0275490762   0.0870182018
C   -3.8389533170   0.9337144270   0.0544551024
C   -3.1725991031   2.9182929228  -1.1402515371
C   -3.9200005360   1.7533136468  -1.0583369449
H    3.9408552329   0.8664481562  -0.8681419211
H    2.8203475512   1.3088314546  -2.1668444533
H    0.2852261832   0.4768647734   2.2686269697
H   -0.2388862533   0.7637833741   0.6201409223
H    3.0319450064   2.1726679563   2.0439211423
H    3.9522876988   0.7646087468   1.5242434116
H    2.7865487457   0.6213807158   2.8375596733
H    2.9805028478  -2.5568919652  -1.7132129795
H    4.1875983013  -1.6130137076  -0.8244061223
H    3.8012528265  -1.2254855399  -2.4955597628
H    1.3854866431  -0.4362631108  -3.0709237297
H    0.6261216201  -1.6191075759  -2.0290063629
H    0.3252911601   0.0994893411  -1.7703840173
H    0.8482512025   2.8727928997   2.5536618619
H    0.4518980171   3.1934973665   0.8765903041
H   -1.3642673378   3.8475287781   2.4068821472
H   -1.4817015214   2.2149963884   3.0303200179
H    3.5144559912  -3.8696077601   1.2096093804
H   -0.2127887862  -2.7659586706  -0.3977801104
H   -2.9269954270   0.6417241770   1.9600011501
H   -1.7480149460   4.1654996290  -0.1634485910
H    2.3413845805  -6.0369237479   0.0003753849
H   -4.4247254679   0.0262877862   0.1171724617
H   -3.2429738035   3.5589638616  -2.0092034797
*