! 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   0.5706771037  -1.3284064701  -2.2977294115
Cl   4.8259632682   0.7392002683   0.1531460680
O   -1.5700595915  -1.4040343535  -0.2572765913
O   -1.7028746308   0.1867157060   1.2863917940
N   -1.2948617297   2.1769185972  -0.8778973142
N   -0.2825903947   2.6057153030  -1.6346502309
N   -0.8795378489   4.1804828350  -0.1601350798
C   -1.1622396350  -0.1057112431   0.0340017062
C   -1.7609858789  -2.1160875939   0.9649022615
C   -1.6515715186  -1.0177548454   2.0339168018
C   -3.1081424454  -2.8159693531   0.9253951829
C   -1.7959180931   0.8328074352  -0.9982544854
C    0.3597162883   0.0403484398   0.0597668051
C   -3.3465225132  -3.7523918348   2.1076560627
C    1.1939728900  -0.4533325328  -0.9401634982
C    0.9589343416   0.7700796476   1.0820915866
C   -2.4392499105  -4.9748408367   2.1277739836
C    2.5654368322  -0.2497073417  -0.9170298085
C    2.3241625160   0.9922687486   1.1308441895
C   -1.6379183181   3.1233507746   0.0004820402
C    3.1183325467   0.4744431243   0.1240522642
C   -0.0697252100   3.8099537195  -1.1723357486
H   -0.9515418281  -2.8434276782   1.0795941498
H   -2.4825696417  -1.0140446802   2.7402478993
H   -0.7201564360  -1.0952018832   2.6031039626
H   -3.1839442226  -3.3878018468  -0.0046605527
H   -3.8961891441  -2.0567217932   0.8929821491
H   -2.8778489611   0.8338618464  -0.8628806133
H   -1.5834742012   0.4890481806  -2.0078854316
H   -4.3868241134  -4.0840066111   2.0719710534
H   -3.2456754783  -3.2045902146   3.0500080890
H    0.3467749290   1.1896323853   1.8682143936
H   -2.7047787271  -5.6429113606   2.9484152142
H   -2.5240443947  -5.5453359601   1.2006477645
H   -1.3877513240  -4.7141898496   2.2576218866
H    3.1892557622  -0.6472297513  -1.7054441887
H    2.7528497024   1.5645452643   1.9416896042
H   -2.4350796553   3.0028068203   0.7170288603
H    0.6971835005   4.4487338971  -1.5820660100
*