! 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  -1.8742187125   4.9366255347   0.6484460314
N   -0.8795074678  -3.0038975130  -0.3731952172
N   -0.6168952859  -3.5100882515  -1.5820824143
N   -0.5080388889  -5.1115723393  -0.0217392404
N    1.2709780866  -1.6927829338   2.1320392819
C    0.1112231884  -0.7236835675   0.0008767869
C    1.0743958312  -0.8577180081  -1.2062746070
C   -1.1570316234  -1.6041635059  -0.1871277226
C    2.1747505430   0.1923691561  -1.3148511737
C   -0.3640124742   0.7084294888   0.2008139942
C    3.1565064228   0.2692296917  -0.1519828271
C    0.7798586166  -1.2289852781   1.2014229243
C   -0.2414196649   1.3811265208   1.4097679717
C   -0.9653412671   1.3686204073  -0.8691869976
C    4.3225352246   1.1981108896  -0.4562319018
C   -0.7026094584   2.6821480103   1.5549244809
C   -1.4322277185   2.6650832585  -0.7398476996
C   -0.8095984020  -3.9716488543   0.5478688661
C   -1.2960100717   3.3146878167   0.4774727514
C   -0.3964584454  -4.7720645469  -1.3218023120
H    0.4684900250  -0.8224989186  -2.1141610343
H    1.5216225580  -1.8535356702  -1.1875200306
H   -1.7075699669  -1.2541447477  -1.0584461033
H   -1.8068901961  -1.4957096007   0.6801671033
H    1.7351870219   1.1797351351  -1.4817525919
H    2.7305758756  -0.0403581607  -2.2282247032
H    3.5356134892  -0.7299324653   0.0828231378
H    2.6522263537   0.6254055963   0.7503489119
H    0.2172763636   0.9069887766   2.2680555642
H   -1.0712461099   0.8825218387  -1.8310389222
H    5.0088268969   1.2657230565   0.3889764896
H    3.9773325258   2.2099284592  -0.6788950559
H    4.8953945632   0.8494229453  -1.3178443332
H   -0.5951246564   3.1882398617   2.5044875140
H   -1.8934370358   3.1598347011  -1.5836745104
H   -0.9941574219  -3.8013576341   1.5976089358
H   -0.1577892978  -5.4796633355  -2.1009477727
*