! 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  -3.9700836541  -2.1584116645   0.8244734945
O    1.3162470766   0.5960468247  -2.1437304559
N    0.5691014350   2.4793105805   0.0377964795
N   -0.0180682017   2.8403067712  -1.1055453723
N   -1.0324743058   3.8189934666   0.6250971237
C    2.5236990754  -1.4218012952   0.7549586246
C    1.7190937833  -2.6361574248   1.0918080847
C    3.1986317152  -2.7536511715   0.8974173491
C    2.4582289572  -0.7889697816  -0.6166931126
C    1.3334481522   0.2685985031  -0.7727431727
C    3.8336775028  -0.2435636740  -0.9991090609
C    1.6653549899   1.5344606883   0.0422383071
C   -0.0097651878  -0.3185894057  -0.3528230193
C   -0.4349181073  -0.3231482024   0.9734988253
C   -0.8368464091  -0.9078502304  -1.3035380174
C   -1.6462103072  -0.8833869959   1.3438720762
C   -2.0514444859  -1.4791738854  -0.9519563355
C   -0.0495623084   3.0648798030   1.0612851128
C   -2.4497978393  -1.4581113508   0.3730180625
C   -0.9757200087   3.6396694661  -0.7056668909
H    2.7001447200  -0.7310377958   1.5757075733
H    1.0703090754  -3.0417585285   0.3250290561
H    1.3216612853  -2.7243762375   2.0949656283
H    3.8226985448  -2.9244679247   1.7654955863
H    3.5561024153  -3.2373753889  -0.0045458966
H    2.2011718150  -1.5808136949  -1.3318347760
H    4.2205556159   0.4602654274  -0.2590169206
H    3.8324879196   0.2523054765  -1.9687922321
H    4.5493503407  -1.0651219620  -1.0542151346
H    2.5440726438   2.0187216746  -0.3849324652
H    1.8954208584   1.3120885807   1.0829293907
H    0.7269882432   1.3579676634  -2.2627069117
H    0.1799025695   0.0993156415   1.7569479931
H   -0.5421634039  -0.9284821570  -2.3438004226
H   -1.9545807306  -0.8704605500   2.3805110364
H   -2.6773238628  -1.9301570705  -1.7103757463
H    0.2491778328   2.9225891790   2.0878731579
H   -1.6502288853   4.1135568144  -1.4013596885
*