! 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   4.3400419029  -1.7829259909  -0.3097303361
O   -1.6667164982   0.7404796180  -1.7541640676
N   -0.7534645417   2.2603074506   0.5980384765
N   -0.5180815888   2.9562930488  -0.5173946955
N    0.7213412557   3.7487543440   1.1610140850
C   -2.3199998261  -1.8102258221   0.9010462060
C   -3.0717977901  -1.3721893024   2.1229184605
C   -3.5213926183  -2.5782226982   1.3592094683
C   -2.3923987576  -1.0469059768  -0.4019391218
C   -1.3926069647   0.1374819281  -0.5107641911
C   -2.2453649098  -2.0221098283  -1.5668763835
C   -1.6851668007   1.1532523086   0.6102337157
C    0.0557612222  -0.3340767279  -0.4443264631
C    0.6812054620  -0.6227779484   0.7679140737
C    0.7927580866  -0.5068839361  -1.6126510140
C    1.9927744563  -1.0689967536   0.8193990498
C    2.1052440606  -0.9542563427  -1.5810597039
C   -0.0042376162   2.7409444559   1.5888616390
C    2.6977696035  -1.2315892327  -0.3612625654
C    0.3719232280   3.8379483379  -0.1334369765
H   -1.3713196067  -2.3045608291   1.0862418851
H   -3.6870020378  -0.4826689757   2.0557637973
H   -2.6065934228  -1.5145246197   3.0905474800
H   -3.3685019224  -3.5552282728   1.7998009360
H   -4.4309014444  -2.4931868552   0.7757802618
H   -3.3903916430  -0.5939453400  -0.4672233940
H   -1.2893716985  -2.5480348888  -1.5364059290
H   -2.3317767095  -1.5341359355  -2.5364164832
H   -3.0312239113  -2.7768055336  -1.5112662830
H   -1.6283372778   0.7046914333   1.5980625671
H   -2.6983049885   1.5403089342   0.4850498593
H   -1.2162827594   1.6005257440  -1.7813576780
H    0.1560062518  -0.5093370021   1.7075697445
H    0.3464486627  -0.2932795343  -2.5736433421
H    2.4540116379  -1.2823121548   1.7741502491
H    2.6557027276  -1.0795081852  -2.5037766317
H   -0.0231924386   2.3365838261   2.5887234542
H    0.7818055153   4.5670358122  -0.8146208709
*