! 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  -7.5397271014  -0.8236499390  -0.1152941575
F    2.5251628643  -3.1743309005   0.4695003497
F    3.7553671799  -1.6004927881  -0.2583348888
F    2.9840390452  -1.5482681626   1.7676349859
O    3.4806033862   0.8726395655   0.6764705312
O   -1.9152219455  -2.3435120837  -0.6989533517
N    2.9554493523   3.5623894041   0.5120633713
N    3.4780576421   3.5739221255   1.7401597886
N    4.4690032190   5.1155774562   0.4575182768
C    2.5079409118   1.2405685483  -0.2599913325
C    1.3631256351   0.2220844140  -0.3557874834
C    1.9255250925   2.6222660009   0.1473451444
C    3.2012024257   1.3426058984  -1.6157178175
C    1.4364380452  -1.1369051814   0.0037738458
C    0.1517341799   0.6622518452  -0.8900986750
C    0.3071903192  -1.9460201843  -0.0974371108
C   -0.9630206699  -0.1441527463  -1.0233775369
C   -0.8869195029  -1.4568202274  -0.5948924383
C    2.6825949658  -1.8404807791   0.4970609633
C    3.5566824921   4.4860273582  -0.2420536508
C    4.3797681177   4.5177162096   1.6616248622
C   -3.2090879487  -1.9274528782  -0.5530979365
C   -4.1506540324  -2.4790854670  -1.4088096475
C   -3.5964157978  -1.0420975170   0.4445873615
C   -5.4886540017  -2.1466293362  -1.2698158447
C   -4.9323607668  -0.6985246881   0.5747440916
C   -5.8701808845  -1.2522112924  -0.2828303084
H    1.3550377797   3.0717232829  -0.6614871321
H    1.2579905942   2.5199688258   1.0038573983
H    4.0234328852   2.0595673496  -1.5863356444
H    3.6134644595   0.3822046656  -1.9208722218
H    2.4994815941   1.6611896171  -2.3864370840
H    0.0517162521   1.6808254254  -1.2368061316
H    0.3378451574  -2.9845898003   0.1990613249
H    3.1641951571   1.0463394485   1.5701850048
H   -1.8671815064   0.2620249774  -1.4574703331
H    3.2920436718   4.6678389170  -1.2720932379
H    4.9933880705   4.7912850956   2.5056540053
H   -3.8427897982  -3.1729732298  -2.1802027771
H   -2.8731166397  -0.6188405988   1.1297668859
H   -6.2217320312  -2.5800031604  -1.9361778988
H   -5.2336071672  -0.0075759202   1.3503414619
*