! 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  -0.4426403565   0.9809755133  -2.4052563476
Cl   3.7296259391   2.5574442750   0.5065736726
O   -2.4563187361   0.0129640768  -0.4206786996
O   -1.7256548833  -1.0818026276   1.4011301147
N    0.1235883071  -2.5521031945  -0.5049143826
N    0.3341749697  -3.2363034626   0.6206551900
N    2.2257520909  -3.0834391962  -0.5686124574
C   -1.3669849403  -0.6797367342   0.1090195185
C   -3.3076825256   0.4156778788   0.6486457529
C   -3.0678537286  -0.6975338241   1.6549652606
C   -1.1356029356  -1.9145251181  -0.7841538831
C   -0.1042459042   0.1775668243   0.1917190743
C   -2.9828739598   1.8061769051   1.1712320916
C   -3.0402784054   2.8803900272   0.0980117013
C    0.3756628034   0.9315158551  -0.8770485900
C    0.6576500393   0.1761264627   1.3570621815
C    1.5468230066   1.6696791279  -0.7892107390
C    1.8322728008   0.8989826082   1.4721397305
C    1.2606378718  -2.4619102066  -1.1999700390
C    2.2661369481   1.6459637662   0.3919122771
C    1.6053180949  -3.5352836569   0.5389041806
H   -4.3302176443   0.3975376576   0.2638003355
H   -3.1533374292  -0.3723218347   2.6929332134
H   -3.7482177306  -1.5406822809   1.4981137567
H   -1.1370209273  -1.6276413674  -1.8338738138
H   -1.9457382731  -2.6292482973  -0.6347055292
H   -3.7117973012   2.0321295162   1.9548971308
H   -2.0029457837   1.8125468546   1.6579219179
H   -2.8418073680   3.8640921237   0.5243351765
H   -2.3038938753   2.7102072675  -0.6869714309
H   -4.0242327913   2.9216264740  -0.3739660459
H    0.3313315572  -0.4061941900   2.2059411920
H    1.8909520466   2.2493826206  -1.6344782343
H    2.3970782704   0.8714856326   2.3935192038
H    1.3318555045  -1.9492954210  -2.1469616859
H    2.1043830267  -4.1097103859   1.3040699172
*