! 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   5.4574365210   0.6561526804   0.6786839058
O   -1.9124735106   1.3717899132   1.2293567165
N   -0.1877969863  -1.6895876157   0.2822914088
N   -0.9266208445  -2.7729803710   0.0303200504
N    1.1261884165  -3.0173551668  -0.8260878433
C   -1.6653506498   0.3505674718   0.2812963885
C   -2.9527474821  -0.3599804251  -0.1872245253
C   -1.1411416078   0.9490328762  -1.0474700285
C   -3.6057789960   0.6730416568  -1.1097308605
C   -2.4258531324   1.3869202939  -1.7900907252
C   -3.8580337497  -1.0261601758   0.8582679049
C   -0.6980724865  -0.5705244364   1.0379655334
C   -0.1535593543   2.1175499298  -0.9570917529
C   -4.5682834827  -0.0818608713   1.8254675619
C   -4.8850886432  -1.9092018704   0.1512228110
C    1.2463411277   1.7673900946  -0.5398563225
C    1.0344260971  -1.8538651093  -0.2287467703
C    2.1448970300   1.2365690337  -1.4632983426
C    1.6886739765   1.9586538866   0.7664924302
C    3.4387604736   0.8931153558  -1.1007878997
C    2.9775406066   1.6175980313   1.1518535174
C   -0.1019472398  -3.5374478654  -0.6389611639
C    3.8435950993   1.0831263169   0.2115941101
H   -2.6078284030  -1.1714713427  -0.8364638434
H   -0.6730146623   0.1418059366  -1.6207018799
H   -4.2191032860   1.3857464022  -0.5506129606
H   -4.2755215666   0.2038436428  -1.8301725209
H   -2.3541655496   1.1347100961  -2.8483804071
H   -2.5463373080   2.4718388978  -1.7433838423
H   -3.2271643449  -1.6966639978   1.4517650394
H   -1.1931327284  -0.9652876945   1.9260854624
H    0.1631859122  -0.0030563075   1.3861145486
H   -0.5575446498   2.8854453421  -0.2940897809
H   -0.1081340939   2.5732656677  -1.9503227691
H   -2.6470992348   1.9204400603   0.9345262541
H   -3.8769084936   0.4647320877   2.4641818802
H   -5.1928486064   0.6473868297   1.3044889476
H   -5.2307934272  -0.6492137460   2.4828520961
H   -5.4675233178  -2.4860167653   0.8724157112
H   -4.4037272734  -2.6204917046  -0.5232854491
H   -5.5929864010  -1.3206520388  -0.4371649637
H    1.8145664062  -1.1146862044  -0.1335085475
H    1.8353432874   1.0856447847  -2.4908639850
H    1.0163615871   2.3795663813   1.5046569912
H    4.1189168539   0.4819645398  -1.8346675245
H    3.2987858551   1.7730325985   2.1731275918
H   -0.3961527126  -4.5102291985  -1.0018266330
*