! 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  -4.8104475523  -0.0556968774   0.2689900533
O    0.9694838026  -0.8930013830   0.6877185536
O    3.9997384875   2.2693970940  -0.3147220228
O    3.3564586783   0.9569411200  -1.9950372748
C    3.1158368743  -1.3261392849  -0.2745690506
C    1.6219009134  -1.3074968993  -0.5127185074
C    3.7138931715  -0.0061378636   0.1853945424
C   -0.3721331305  -0.6920312722   0.5684261912
C   -0.8596397825   0.5781629461   0.2468684340
C   -1.2440939638  -1.7488994113   0.7945536292
C   -2.2377977353   0.7521624059   0.1631776784
C    0.0659791122   1.7310250068   0.0015129968
C   -2.6153190044  -1.5675905283   0.7069529674
C    3.6551003376   1.0950539066  -0.8335186416
C   -3.0977252569  -0.3109848742   0.3850458252
H    3.5943135400  -1.6580891965  -1.1979141067
H    3.3462549978  -2.0840099755   0.4775507746
H    1.2850071724  -2.3121365655  -0.7924899415
H    1.3591216696  -0.6393383815  -1.3378096259
H    4.7706893622  -0.1532334247   0.4319483874
H    3.2518271234   0.3365795819   1.1136626971
H   -0.8490966086  -2.7228601293   1.0554950652
H   -2.6366543341   1.7292175195  -0.0780890545
H    0.5032494744   1.6881153745  -0.9987081098
H   -0.4671028884   2.6784387110   0.0759615942
H    0.8857241254   1.7556138688   0.7189789803
H   -3.2877244549  -2.3946661847   0.8885607289
H    3.9799005902   2.9528112230  -1.0019522978
*
