! 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  -5.6505100278   2.1427735133  -2.5043944766
O    2.8715245386   1.5163687640   0.6154190677
O    1.7676411544  -2.2818423885  -1.3893886381
N    2.5290495243  -0.5974778192  -0.0761838060
N    1.3473797140  -2.4191657868   0.8346036155
N   -0.1863482536  -3.4361354705   2.0415394397
C    2.4941500463   0.2691964834   1.1444580789
C    3.2040035879   0.1101807264  -1.1932152286
C    3.7979910930   1.2824600694  -0.4159772431
C    1.1128630162   0.4457615333   1.7703456395
C    3.5124874314  -0.1688256899   2.1941399935
C    4.3072349367  -0.7124781901  -1.8412692223
C    2.2060450669   0.6227649335  -2.2296341564
C   -0.0022500714   0.8413543456   0.8143898874
C    1.9023322801  -1.7555997217  -0.3051962937
C   -1.3441569128   0.9743441840   1.5379578201
C   -2.4572927381   1.2747709157   0.5757343305
C    2.0155865994  -3.0623753080   1.8473975937
C    0.0266482322  -2.7046679320   0.9871303948
C   -2.6620870166   2.5685635919   0.1015363776
C   -3.2709382278   0.2592539718   0.0820652909
C    1.0477109017  -3.6785307207   2.5797399123
C   -3.6403167498   2.8452993446  -0.8410682349
C   -4.2557590968   0.5145680894  -0.8612264151
C   -4.4293856852   1.8102805535  -1.3183933239
H    4.7934621043   1.0405862543  -0.0213812014
H    3.8867008513   2.1828592368  -1.0240892435
H    1.2267182484   1.2231825219   2.5323845165
H    0.8396126533  -0.4534603240   2.3241327964
H    4.4795709753  -0.4152300112   1.7552562205
H    3.1732061181  -1.0327526034   2.7599178814
H    3.6593314337   0.6434136942   2.9073384819
H    4.9489631557  -1.1793799033  -1.0924972100
H    4.9329055309  -0.0534221682  -2.4460667723
H    3.9217026158  -1.4888132530  -2.4980039899
H    1.4590916354   1.2772069651  -1.7787413226
H    2.7372638540   1.2013179247  -2.9872788146
H    1.6886444063  -0.1871278505  -2.7383309278
H    0.2379525452   1.7892167943   0.3275025912
H   -0.1121730602   0.1087876383   0.0095216723
H   -1.2748212133   1.7632499509   2.2916398894
H   -1.5626585011   0.0487085416   2.0777262749
H    3.0886420554  -3.0610860769   1.9287338610
H   -0.7223269839  -2.3347282967   0.3039076732
H   -2.0480286614   3.3816263969   0.4706479105
H   -3.1415297494  -0.7563950944   0.4372889553
H    1.1774807133  -4.2875376936   3.4604689859
H   -3.7827134157   3.8567822933  -1.1971154830
H   -4.8759851338  -0.2904107406  -1.2319535394
*