! 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   6.2907660465   0.9753629283  -0.3165667214
O   -2.1926244668  -0.8252600905  -1.3867837564
N   -2.7757620347   1.4162269024   0.2909551837
N   -2.2573879994   2.4875259823   0.8966098813
N   -3.4419551531   3.1115476752  -0.8942289820
C   -1.7412501589  -0.8771889491  -0.0502716094
C   -1.9413245556  -2.3108856899   0.5595169685
C   -0.2095365365  -0.6420346053   0.0180268068
C   -0.5296731025  -2.8169899578   0.8801458536
C    0.2648714455  -1.5490400970   1.1427903140
C   -2.7997150965  -3.2853401409  -0.2559640150
C   -2.5926857220   0.0765489099   0.8140114131
C    0.2848946368   0.8027499277   0.0927810459
C   -2.7457258005  -4.6849083098   0.3539929796
C   -4.2581087977  -2.8433460103  -0.3503780290
C    1.7824333526   0.8736248721  -0.0083459602
C   -3.4879561597   1.8061044270  -0.7711130938
C    2.4190730756   0.7457527466  -1.2405747538
C    2.5732062156   1.0360168937   1.1250321665
C    3.8009295703   0.7755681733  -1.3462090868
C    3.9578272320   1.0675804327   1.0417987619
C   -2.6746929854   3.4773769420   0.1505508991
C    4.5610431402   0.9353136017  -0.1979152737
H   -2.4486903272  -2.1789948162   1.5254252137
H    0.1842347871  -1.0760065882  -0.9115028583
H   -0.1014285456  -3.3434858970   0.0206131582
H   -0.5204834768  -3.5123135042   1.7200371475
H    0.0124969467  -1.1228981958   2.1204599596
H    1.3438741630  -1.7070528364   1.1295221791
H   -2.3866212592  -3.3488949689  -1.2679476777
H   -2.1680169833   0.1783176183   1.8122865722
H   -3.5841818394  -0.3618046362   0.9385445688
H   -0.0366066794   1.2674924184   1.0256551129
H   -0.1512838669   1.3938734148  -0.7181013310
H   -1.7083655733  -0.1405785908  -1.8596905920
H   -3.3870100667  -5.3712463608  -0.2031994376
H   -1.7410054575  -5.1090804891   0.3439543771
H   -3.0948560977  -4.6834357977   1.3901853657
H   -4.3791291832  -1.8732691993  -0.8298725295
H   -4.7145435405  -2.7863387351   0.6419125500
H   -4.8417665304  -3.5613119709  -0.9305771456
H   -4.0299482093   1.1241997173  -1.4060357986
H    1.8288979330   0.6253889871  -2.1417614642
H    2.1051077468   1.1420859014   2.0963788808
H    4.2758219859   0.6794402191  -2.3134318907
H    4.5538901516   1.1961436147   1.9353348175
H   -2.4207652335   4.5026797739   0.3714140629
*