! 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  -3.1589036323  -2.6843679874   1.9800231969
F    4.4861281737  -1.0653328037  -1.3602966626
F    6.0727882153   0.3447543626  -1.0556854498
F    5.4314832584  -0.8968566321   0.5695650410
F   -5.7123974462   1.6508683466   0.5849208270
F   -4.1924464458   2.8856177123  -0.3090251363
F   -5.3791769044   1.5871360246  -1.5397140403
O    2.5776135603  -1.7626643243   0.7571112712
N    1.1109502409  -1.0351280417  -0.8057620215
N   -1.6895549423  -0.3692008574  -0.8517320674
C   -0.7560577422  -2.3995545230   0.1098597595
C    0.3485119515  -2.2556633160  -0.9265657701
C   -1.8301346825  -1.3564560428   0.0249263240
C    2.6475339662   0.5320576070   0.1221121707
C    2.1227348374  -0.8739540414   0.0532364428
C    3.9916919728   0.8546713646  -0.0842529181
C   -2.9632388413  -1.4046369303   0.8404513694
C   -3.7574219602   0.5869515176  -0.1732981109
C   -3.9405982114  -0.4340283457   0.7445955056
C    1.7541119016   1.5401536945   0.4653399734
C    4.4156538418   2.1692851638   0.0606665255
C   -2.6112112454   0.5732161695  -0.9531179214
C    4.9917057635  -0.1936874461  -0.4789457066
C    2.1834902783   2.8497159373   0.6189655973
C    3.5162473547   3.1633965927   0.4171158253
C   -4.7646239456   1.6768869612  -0.3535521761
H   -1.2060668105  -3.3896878741  -0.0063722122
H   -0.3252258463  -2.3931514419   1.1156840198
H    1.0214914229  -3.1077503708  -0.8371170201
H   -0.0676137750  -2.2868297761  -1.9325296782
H    0.7686373676  -0.2354823216  -1.3137270367
H   -4.8156632027  -0.4831235469   1.3782060430
H    0.7114455030   1.3000533254   0.6328330042
H    5.4492825398   2.4386920744  -0.1062952768
H   -2.4215493498   1.3456170522  -1.6898704125
H    1.4751245237   3.6193718721   0.8948761292
H    3.8626473184   4.1817409478   0.5295057566
*