! 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  -5.9901596438  -0.3355811280   0.0832537128
O    0.5798117277   0.8104799671   0.9546020880
N    1.2271688500   1.5417489119  -0.0593606202
N    4.8084299523  -1.6946866822  -0.1009542482
C    1.8314378856   0.4938947930  -0.8848404511
C    0.7177270480  -0.5674758822  -0.9459156452
C    0.0281036535  -0.3922913782   0.4107469817
C    3.0696592638  -0.0339968960  -0.1705314060
C    2.2388189931   1.0000167263  -2.2641527638
C   -1.4802723717  -0.3541501688   0.3413013957
C    0.2730800153   2.4068425940  -0.7312072317
C    3.6717212441   0.6324138763   0.8890775430
C    3.6937562022  -1.1964435085  -0.6172273339
C   -2.2243875713   0.6279349464   0.9850279490
C   -2.1599867235  -1.3467186448  -0.3614211635
C    4.8322700139   0.1159004753   1.4448704907
C   -3.6104275067   0.6392778618   0.9095754007
C   -3.5430929570  -1.3516802294  -0.4442074458
C    5.3639823414  -1.0480039242   0.9167507628
C   -4.2598727371  -0.3496227478   0.1909965553
H    0.0379572403  -0.3487551885  -1.7722510044
H    1.0879069312  -1.5799950180  -1.0949159455
H    0.3211346403  -1.1967110544   1.0937428713
H    1.3821145564   1.3320765712  -2.8507037892
H    2.7194662640   0.1989462995  -2.8251754824
H    2.9520400853   1.8222601086  -2.1910863983
H   -0.2123782689   3.0313020496   0.0170861173
H   -0.5039838552   1.8960756177  -1.3120140763
H    0.8155913820   3.0756206851  -1.3978353490
H    3.2468760504   1.5499688524   1.2717077799
H    3.2753764580  -1.7564239703  -1.4482044651
H   -1.7324708186   1.4057861211   1.5524295213
H   -1.6102273648  -2.1344828231  -0.8625961281
H    5.3204171632   0.6127343536   2.2725683714
H   -4.1719534760   1.4170605396   1.4094222738
H   -4.0511559798  -2.1274226519  -1.0010224244
H    6.2732505982  -1.4737697694   1.3262106852
*