! 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
Br  -4.0942601747   0.0526442898  -0.0142905763
O    4.3984517708   1.0719584398  -0.2290719887
O    2.6636369691  -1.9120689757   0.0273793416
N    1.9676473245   0.2605135593  -0.1397360898
N    4.2019038212  -0.2599281911   0.0761800048
C    0.5825538894   0.1248103328  -0.1118389320
C   -0.1612116122   1.2746775952  -0.3906243834
C   -0.1013667470  -1.0522116347   0.1959180810
C    2.9081033444  -0.7182046235  -0.0294383665
C   -1.5431590542   1.2612451447  -0.3644335071
C   -1.4887057695  -1.0665438031   0.2207617861
C   -2.2077175593   0.0832703401  -0.0579362254
C    5.3192428108  -1.0942866213  -0.3022593829
C    4.7751818846   1.8033594830   0.9316408990
H    2.3061614143   1.1951077889  -0.3131014280
H    0.3463052313   2.2011759558  -0.6321645991
H    0.4254767930  -1.9644714264   0.4211935418
H   -2.0835299246   2.1720613796  -0.5848954109
H   -1.9914969309  -1.9932133385   0.4644716712
H    5.4976605265  -1.0764498583  -1.3795142758
H    5.1314918128  -2.1169872577   0.0062553062
H    6.2157537967  -0.7545235498   0.2125099954
H    4.0010417722   1.7732495957   1.7016570134
H    4.9145526597   2.8327568897   0.6053795772
H    5.7144888186   1.4377062561   1.3531010092
*