! 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   5.6788826979   0.0542741952   0.1265563143
O   -0.0488737978  -0.6976885830  -0.8348114551
O   -2.3505862686  -1.4740261389  -1.5718337154
N   -1.2523584990   1.0229858270   0.1905642704
N   -1.2067528300   1.6574229354   1.3668612912
N   -1.6160973664   3.1018620573  -0.2923011771
C   -3.5478549038  -1.1627598009   0.4785404263
C   -2.3343947521  -1.0744260651  -0.4385493164
C   -1.0416306215  -0.4070612463   0.0849333266
C   -4.3288536706  -2.4297390177   0.1194082192
C   -3.1709250799  -1.2046270035   1.9600882829
C   -4.4326150774   0.0658730667   0.2051812888
C    1.2599567934  -0.4824138578  -0.5269851099
C   -1.4970593852   1.9001260973  -0.7940645059
C    2.1642807640  -0.8598035055  -1.5155990907
C    1.7194610258   0.0654811068   0.6631815658
C   -1.4338004212   2.8995904226   1.0299616798
C    3.5217728846  -0.6974387215  -1.3177407482
C    3.0856601922   0.2258148419   0.8607198118
C    3.9775715002  -0.1534702999  -0.1248888930
H   -0.8045179097  -0.7674712575   1.0898085587
H   -4.6858711357  -2.4189291170  -0.9098174940
H   -3.7260702279  -3.3288403770   0.2588479688
H   -5.2006734712  -2.5148604041   0.7693713266
H   -2.5101783863  -2.0419509555   2.1931350412
H   -4.0758549429  -1.3334281759   2.5554735132
H   -2.6962125362  -0.2863403691   2.3076033016
H   -3.9675473392   1.0004984776   0.5209902367
H   -5.3637721890  -0.0312259287   0.7662457005
H   -4.6910232526   0.1514481214  -0.8512413857
H   -1.5736367820   1.6246939057  -1.8346794155
H    1.7978758494  -1.2852454797  -2.4411078226
H    1.0525087991   0.3842683107   1.4525163411
H   -1.4661265491   3.6918723038   1.7612096192
H    4.2163124696  -0.9953256890  -2.0913176342
H    3.4394781765   0.6533356157   1.7889195704
*