! 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  -4.4380252784   1.2255051069  -2.6068325800
O    1.5907044177   1.4121061860  -0.6572181938
O    2.0818666091  -1.2663714259   2.4434872768
N    1.6923564658  -0.6195346164   0.3032406997
N    1.8816448547  -2.8907991804   0.8723243593
N    1.3206502505  -5.0172037818   0.9258855367
C    1.7854112149   0.8394729690   0.6110990829
C    1.1359189197  -0.8253546718  -1.0622035462
C    0.6662553936   0.6065919752  -1.3396001271
C    0.6625303877   1.2617895980   1.5711225209
C    3.1631341738   1.2537666909   1.0899031922
C    2.2082468791  -1.2142119887  -2.0750815885
C   -0.0523917523  -1.7737188003  -1.1287886808
C    0.4552689113   2.7746378746   1.6604135143
C    1.8908909962  -1.5174280926   1.2718673987
C   -1.0052593713   3.1387197688   1.9590133880
C   -1.9216850627   2.7001779422   0.8504173102
C    2.8448073145  -3.5627391012   0.1600996218
C    1.0032428821  -3.8214399836   1.3296647485
C   -1.8914189010   3.3431245948  -0.3861783470
C   -2.7628451723   1.6004941563   0.9934348565
C    2.4742793216  -4.8716104287   0.2053357175
C   -2.6634986319   2.9031849933  -1.4493920175
C   -3.5406016181   1.1398556489  -0.0604675635
C   -3.4797597651   1.7954719954  -1.2779271693
H    0.6942345772   0.8517564838  -2.4011789401
H   -0.3596826424   0.7678093224  -0.9827480799
H    0.8628293216   0.8595467709   2.5630876845
H   -0.2623850201   0.7825662470   1.2405105584
H    3.2324189628   2.3420880193   1.1130294648
H    3.9383580075   0.8824605563   0.4194596518
H    3.3684135494   0.8907371289   2.0935024210
H    3.0592560052  -0.5328347310  -2.0450490182
H    1.7867364111  -1.1791034788  -3.0807478755
H    2.5732018178  -2.2272900880  -1.9216176670
H    0.2332605744  -2.8241098004  -1.1187482993
H   -0.7641837218  -1.5937048946  -0.3220774107
H   -0.5785785785  -1.6022103240  -2.0701255888
H    1.0906280121   3.1986825348   2.4412341253
H    0.7471983622   3.2638382884   0.7289574335
H   -1.0786022023   4.2202442901   2.0972678817
H   -1.3166249586   2.6814881171   2.9015087485
H    3.7050004357  -3.0716766097  -0.2613513056
H    0.1459903211  -3.5531915624   1.9284138475
H   -1.2499296583   4.2047189842  -0.5301769272
H   -2.8130365945   1.0809166689   1.9429777996
H    2.9822859945  -5.7135938582  -0.2382877183
H   -2.6238124154   3.4170629128  -2.4005776201
H   -4.1815164920   0.2785652991   0.0729211175
*