! 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   0.0339029208  -0.2035523690  -2.1454128248
Cl   5.1454914165   0.2348551239  -0.7673841798
O   -1.4777062941  -0.7507473196   0.2358076720
O   -0.6848737924  -0.4676359863   2.2950127412
N   -1.2771879475   2.1332776996  -0.1839772471
N   -0.2526780909   2.8543192072  -0.6449513908
N   -1.9233827441   2.8221954061  -2.1350996821
C   -0.6411606452   0.0549103388   1.0017544531
C   -1.6323590892  -2.0204592557   0.8714470132
C   -0.7830073782  -1.8730311778   2.1365689536
C   -3.1054306674  -2.2774219690   1.1340756682
C   -1.2220946820   1.4693877016   1.0901769152
C    0.7995096484   0.0642385357   0.4810613197
C   -3.3858962116  -3.7022777287   1.5945255155
C    1.1748492877  -0.0369313413  -0.8570080062
C    1.8207504013   0.2404174747   1.4130966563
C   -4.8600431287  -3.9331841799   1.8879674453
C    2.5084195439   0.0099053162  -1.2433250400
C    3.1554636035   0.2968646252   1.0550360979
C   -2.2635684022   2.1180402883  -1.0838878375
C    3.4880303671   0.1750139450  -0.2825883434
C   -0.6840879540   3.2450086409  -1.8163989137
H   -1.2261650005  -2.7987051406   0.2170665157
H   -1.2487592845  -2.2880079338   3.0303083236
H    0.2061001700  -2.3281596548   2.0208097600
H   -3.6646616680  -2.0816419028   0.2142717527
H   -3.4693650031  -1.5636440157   1.8817497642
H   -0.6258443425   2.0797708521   1.7674066692
H   -2.2336320336   1.4059676384   1.4927297640
H   -2.8015637150  -3.9334304703   2.4906486266
H   -3.0509762974  -4.4050164740   0.8256371791
H    1.5734239043   0.3361777590   2.4615705094
H   -5.2174535619  -3.2663231589   2.6752040865
H   -5.4749563532  -3.7556941496   1.0033429054
H   -5.0458542338  -4.9566969402   2.2162300768
H    2.7720493889  -0.0766306599  -2.2883348521
H    3.9158111940   0.4337342441   1.8112749333
H   -3.1943911072   1.5963056260  -0.9264475599
H   -0.0833939632   3.8659965778  -2.4632339098
*