! 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  -3.5379173881   3.3073115370   0.2813130275
N   -0.3128503005  -2.1820847503  -0.6800257385
N   -1.3243933563  -1.8328837610  -1.4781010344
N   -1.9988763257  -3.3546946587   0.0168624814
N    1.6075151335  -1.5860805855   2.5390706867
C    1.2044767897  -0.4258360509   0.2306262613
C    2.4893337985   0.3654762572  -0.1179633496
C    0.9787717483  -1.5569508477  -0.8041113488
C    3.7707850639  -0.4567156570  -0.1993269726
C    0.0028247199   0.5093831528   0.2813588174
C    5.0112983746   0.4155121208  -0.3788772294
C    1.4106838532  -1.0619354470   1.5345033501
C   -0.7573070786   0.6922278956   1.4287456266
C   -0.3581310153   1.2047570670  -0.8705535995
C    5.0226210256   1.2234449859  -1.6687775266
C   -1.8475089097   1.5516369765   1.4377030522
C   -1.4403109790   2.0659598504  -0.8784267377
C   -0.7298994516  -3.0909163014   0.2080109361
C   -2.1804661449   2.2332525097   0.2820920463
C   -2.3117702339  -2.5597811052  -1.0254884226
H    2.6044312600   1.1565231043   0.6275410439
H    2.3063094272   0.8650972874  -1.0709236863
H    1.7503763460  -2.3190478248  -0.7102237649
H    1.0460887389  -1.1468078698  -1.8099916660
H    3.7174456021  -1.1671369435  -1.0295706622
H    3.8934436390  -1.0514934296   0.7104413754
H    5.8909926589  -0.2323566086  -0.3544773692
H    5.1072783665   1.0889622536   0.4782018884
H   -0.5196137930   0.1704735830   2.3466428527
H    0.1994469784   1.0838699562  -1.7903893811
H    4.2387298449   1.9821472184  -1.6901866581
H    4.8845922748   0.5812613220  -2.5415985474
H    5.9727959943   1.7445384160  -1.7946685369
H   -2.4242359196   1.6789944651   2.3435692071
H   -1.7030435889   2.5951196369  -1.7841139403
H   -0.0861068731  -3.5326711979   0.9528050044
H   -3.2952807245  -2.5211280985  -1.4673234929
*