! 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  -0.2675298662  -1.1441313683   2.1399442763
Cl   0.9603400464  -5.3021568323  -0.9552799462
O   -0.7312943425   1.0675649247   0.2800721228
O    0.4884579008   1.3041324306  -1.5767400930
N    1.5687550308   2.6532378807   0.6588505318
N    2.2110435865   3.4966325000  -0.1517481712
N    0.9520098692   4.6256169102   1.3156781149
C    0.4704948237   0.6945006339  -0.3248432904
C   -1.6105612328   1.6316171362  -0.6915023119
C   -0.8599538916   1.4033604597  -1.9972753342
C   -2.9772587758   0.9838705556  -0.6329874161
C    1.6532030770   1.2280873474   0.4889414482
C    0.5732778950  -0.8260190319  -0.4476391517
C   -3.6861680865   1.1726462871   0.7021254152
C    0.2608296247  -1.7049678224   0.5885301049
C    1.0334222451  -1.3838583226  -1.6368239211
C   -5.0730901794   0.5489792064   0.7135925079
C    0.3777513823  -3.0793802292   0.4412305366
C    1.1562265385  -2.7515069700  -1.8129547133
C    0.8157038075   3.3386351089   1.5232623644
C    0.8203755052  -3.5905892685  -0.7658510348
C    1.8166606621   4.6650946132   0.2820767013
H   -1.7037418253   2.7055100378  -0.4879861715
H   -1.1890139973   0.4851793332  -2.4999192171
H   -0.9494319715   2.2320704903  -2.6981545018
H   -2.8844056782  -0.0835930603  -0.8596147195
H   -3.5837469948   1.4195987192  -1.4344331307
H    2.5915951983   0.9964439455  -0.0123940848
H    1.6787211513   0.7552763168   1.4694285231
H   -3.7637322985   2.2411821228   0.9258056083
H   -3.0828135834   0.7331842652   1.5000962418
H    1.3039626637  -0.7354019336  -2.4586086558
H   -5.7145355107   0.9845493537  -0.0554011539
H   -5.0271026559  -0.5267260317   0.5315325155
H   -5.5680257891   0.6960461312   1.6746981269
H    0.1252571826  -3.7383322495   1.2604232193
H    1.5102947173  -3.1485687308  -2.7540493783
H    0.2071945922   2.8669787180   2.2781782350
H    2.1670788576   5.5844938377  -0.1610849026
*