! 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  -4.4371316845   2.1105134434  -0.2975147163
F   -1.9319795688  -1.7556790968   2.0058956149
F   -0.7738836786  -2.6739636523   0.4495093131
F    0.1336343861  -1.2281522981   1.7553709890
O    1.1962115524   1.4609012915   0.3396169555
N    2.7934826070  -1.4381675451  -1.1233557004
N    0.6249389241  -0.7883148329  -1.1643475020
N    4.7699490523  -2.4055668516  -1.2689104062
C    1.7821938240  -0.5511022817  -0.7349325932
C    2.2356705766   0.5610838606   0.1784280390
C    1.2852456720   2.2698629132   1.4929788544
C   -0.5307543250  -0.0688481108  -0.9046712804
C    0.0389048762   3.1244454780   1.5791657326
C   -1.3861670510  -0.4206712924   0.1450148497
C   -0.9330420368   0.9327383422  -1.7858919980
C   -2.5854435700   0.2553784963   0.3318734316
C    2.6305045582  -2.5433008976  -1.9327561018
C    0.0618758999   4.0243774655   2.8045786765
C    4.1117776350  -1.4142148496  -0.7563962701
C   -0.9943576964  -1.5164686786   1.0844057645
C   -2.1242881539   1.6054363505  -1.6036998716
C   -2.9429328898   1.2677070876  -0.5373056874
C    3.8558890404  -3.1160426567  -2.0090629287
H    3.1245478519   1.0420483071  -0.2519876464
H    2.5546087746   0.1103644645   1.1293765414
H    2.1806325551   2.9054779504   1.4512518686
H    1.3792549879   1.6438916606   2.3912793523
H   -0.0477214751   3.7313930343   0.6742571443
H   -0.8401429621   2.4751075602   1.6072168962
H   -0.2941704353   1.1907051195  -2.6198984485
H   -3.2433406184  -0.0004691313   1.1504237935
H    1.6807459517  -2.8061810619  -2.3635000935
H    0.1229791422   3.4454972869   3.7281679784
H    0.9131037045   4.7078134739   2.7868680447
H   -0.8417458084   4.6317568779   2.8605413583
H    4.5295886692  -0.6541772096  -0.1155324897
H   -2.4091102395   2.3900657904  -2.2916782001
H    4.1350265171  -4.0039203451  -2.5541587869
*