! 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   0.1732201897  -0.9541729115   2.2622328169
Cl   0.2990988645  -5.2235998148  -0.9222379137
O   -0.5809980406   1.2537170223   0.4648724576
O    0.2985004163   1.3959208789  -1.5861195571
N    1.8382234552   2.6683143505   0.4620174079
N    1.5886240868   3.1573277326   1.6782853036
N    1.8894687495   4.8219373380   0.2116468920
C    0.4644233213   0.7952242522  -0.3374872360
C   -1.5812068523   1.8727689597  -0.3418094120
C   -1.0888735048   1.6167968040  -1.7615601980
C   -2.9698916210   1.3396632825  -0.0353750642
C    1.8202966294   1.2524812968   0.2098907870
C    0.4361043916  -0.7288474261  -0.4516810239
C   -3.1270588114  -0.1761321391  -0.0602141182
C    0.2938875167  -1.5721682636   0.6491092649
C    0.5669849088  -1.3303600807  -1.6992688040
C   -4.5763199771  -0.5970742517   0.1337372941
C    0.2509013418  -2.9514114586   0.5146593231
C    0.5274987159  -2.7049538993  -1.8640485624
C    2.0091314373   3.6709108063  -0.4041134470
C    0.3621972115  -3.5055243929  -0.7484252519
C    1.6324618585   4.4489259526   1.4814291673
H   -1.5671286974   2.9487458586  -0.1347596509
H   -1.5713983915   0.7502675667  -2.2271693376
H   -1.2260921110   2.4759911783  -2.4167467170
H   -3.6524381422   1.7980905544  -0.7597614728
H   -3.2833048071   1.7158233773   0.9426810749
H    2.5990966038   1.0012345548  -0.5102547611
H    2.0616460961   0.7482196995   1.1422079604
H   -2.5133290709  -0.6201238797   0.7257325906
H   -2.7612873541  -0.5907453317  -1.0036353836
H    0.6997439132  -0.7137562599  -2.5774314245
H   -4.6764414497  -1.6833436910   0.1363786304
H   -4.9763559732  -0.2298355140   1.0811362509
H   -5.2151027895  -0.2112625460  -0.6633722787
H    0.1321848906  -3.5804567425   1.3861142091
H    0.6242618175  -3.1364039674  -2.8505759662
H    2.2256011236   3.5182044168  -1.4493347398
H    1.4801693067   5.1516789068   2.2862033023
*