! 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  -6.4563395515   3.7095556492   1.2858591649
O    2.1474436898   0.9802559563   0.8346751481
O    4.3724454457  -2.4645414494  -0.8651202534
N    2.9365685884  -0.8195222841  -0.2599488155
N    2.2408572349  -3.0668675387  -0.3610322819
N    1.2857940002  -4.9185395280   0.3462204821
C    1.7165903143  -0.2961064905   0.4300364172
C    3.9190344181   0.2706471732  -0.4730880773
C    3.0300104798   1.4679247825  -0.1452811785
C    0.5388090466  -0.1804001468  -0.5457919268
C    1.3524598004  -1.0520604248   1.6974357467
C    5.0734964203   0.1865148267   0.5235585560
C    4.4209007923   0.3566113373  -1.9068141109
C   -0.6505378693   0.5918152723   0.0128528834
C    3.2761696923  -2.0865616580  -0.5115825144
C   -1.7832319758   0.6851716119  -1.0113996944
C   -2.9660567054   1.4351425344  -0.4695717689
C    1.2551752178  -3.3668666812  -1.2707126138
C    2.2301611430  -4.0529854350   0.5742466905
C   -3.9899061967   0.7702655533   0.2001457893
C   -3.0454190714   2.8211737733  -0.5793236322
C    0.6744507149  -4.5066369767  -0.8063485604
C   -5.0647386257   1.4587118019   0.7429745907
C   -4.1112242273   3.5286120479  -0.0436499338
C   -5.1154244261   2.8374503909   0.6154112811
H    3.5926213344   2.3041974328   0.2695945887
H    2.4943285108   1.8271899398  -1.0332278035
H    0.2062276096  -1.1822432901  -0.8188274692
H    0.8754689442   0.2903984147  -1.4744917273
H    0.7308566226  -0.4147563600   2.3263608518
H    2.2406313027  -1.3120891232   2.2735087130
H    0.7803559802  -1.9552504179   1.4993382253
H    5.7354250801   1.0436251702   0.3900176092
H    5.6690693423  -0.7129317045   0.3829752464
H    4.7133601483   0.2021520209   1.5533910962
H    5.1624037426  -0.4046741128  -2.1377117808
H    3.6015994824   0.2704277358  -2.6220381723
H    4.8910640635   1.3296830466  -2.0609904760
H   -1.0320494312   0.1047438148   0.9143334937
H   -0.3474379957   1.5995539269   0.3069461472
H   -2.0888060446  -0.3219627859  -1.3072488218
H   -1.4152041073   1.1779080177  -1.9152566683
H    1.0820771600  -2.7799718097  -2.1569008554
H    2.9215512988  -4.0656198541   1.4028487530
H   -3.9555873453  -0.3081983254   0.3004931679
H   -2.2640119355   3.3654618350  -1.0966394315
H   -0.1450072832  -5.0539213433  -1.2452504108
H   -5.8523130670   0.9228683353   1.2556880190
H   -4.1562433700   4.6049035564  -0.1432468112
*