! 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   0.5196637060  -1.7783845573  -1.8367855454
Cl   4.9295980653   0.9018099270  -0.5060188288
O   -1.2465129241  -1.5643147397   0.5267478712
O   -1.3243670629   0.3542841470   1.6876337338
N   -1.4038587814   1.8332807495  -0.8418535050
N   -0.5319100218   2.1771766333  -1.7916577176
N   -1.1241118006   3.9681477022  -0.5871699911
C   -0.9367513552  -0.2012279838   0.4674203578
C   -1.7034993409  -1.8980969944   1.8381911748
C   -1.2622219288  -0.6883360176   2.6476317342
C   -3.2071680389  -2.1198350115   1.8581965501
C   -1.7761861744   0.4569634690  -0.6357713463
C    0.5565966625   0.0142005569   0.2277966198
C   -3.7095511637  -3.1792242489   0.8823720388
C    1.2695636392  -0.6262313344  -0.7829877040
C    1.2460726802   0.9462509077   0.9963693491
C   -3.1915378515  -4.5810781565   1.1675721837
C    2.6112446312  -0.3640810468  -1.0134254918
C    2.5858251467   1.2287486666   0.7907302460
C   -1.7432436945   2.9083435716  -0.1264299555
C    3.2584592907   0.5656737595  -0.2190454690
C   -0.3937169127   3.4628086526  -1.6005971156
H   -1.1757951917  -2.7992516379   2.1599540681
H   -1.9286504424  -0.4414643307   3.4735134155
H   -0.2465564759  -0.8079432147   3.0408034191
H   -3.7159390174  -1.1705575289   1.6595220189
H   -3.4840099151  -2.4055078961   2.8786664303
H   -2.8303553253   0.4052419961  -0.3611498123
H   -1.6502711473  -0.0655854901  -1.5805307673
H   -3.4517267193  -2.8900309884  -0.1394890266
H   -4.8018414445  -3.1879545400   0.9246841405
H    0.7290692904   1.4800787139   1.7812104447
H   -3.6384253281  -5.3077798271   0.4874632543
H   -2.1098313605  -4.6575605233   1.0474748326
H   -3.4331840848  -4.8958402253   2.1849136906
H    3.1392047376  -0.8764604392  -1.8056601228
H    3.0868008694   1.9599865764   1.4095773913
H   -2.4387988327   2.8735042530   0.6968755813
H    0.2513621289   4.0633290385  -2.2228966806
*