! 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  -0.4896334761   0.9363296201  -2.3580568152
Cl   3.6634040937   2.6270425015   0.5179799011
O   -2.4520431884  -0.0290440701  -0.3267979779
O   -1.7310025192  -1.1402402211   1.4560554823
N    0.1264862452  -2.5877841542  -0.5020179747
N    0.4379779143  -3.2100247678   0.6349351890
N    2.2029615934  -3.1629800447  -0.7419651224
C   -1.3584167385  -0.7329298659   0.1753875263
C   -3.1359378832   0.5880009421   0.7626115281
C   -2.5445804079  -0.1124333533   1.9948910220
C   -1.1576233318  -1.9744825256  -0.7043998460
C   -0.0950397846   0.1298354987   0.2282476186
C   -2.9564775347   2.0942698487   0.7849935349
C   -3.5035932494   2.7913599093  -0.4492038378
C    0.3470108805   0.9075627703  -0.8400572946
C    0.6924405680   0.1244682206   1.3756809896
C    1.4979522381   1.6768352531  -0.7615593529
C    1.8462359864   0.8818178513   1.4834207302
C    1.1890105349  -2.5589341918  -1.3097811514
C    2.2357048476   1.6601983468   0.4087978515
C    1.6891681865  -3.5410577871   0.4443117131
H   -4.1976682470   0.3505743354   0.6464628617
H   -1.9570633640   0.5789499495   2.6097768604
H   -3.3034701182  -0.5704666154   2.6285467905
H   -1.2295322233  -1.6990945058  -1.7541825745
H   -1.9460071602  -2.6973197916  -0.4947802543
H   -3.4704780953   2.4668275966   1.6765462879
H   -1.8985325702   2.3393693032   0.9189752644
H   -2.9792132907   2.4784358030  -1.3518646398
H   -4.5659802218   2.5821954393  -0.5898753285
H   -3.3922716233   3.8728219160  -0.3644664280
H    0.4027406865  -0.4896695730   2.2163754660
H    1.8132456480   2.2754384680  -1.6048880376
H    2.4280712962   0.8573942441   2.3941079509
H    1.1722698421  -2.1021336625  -2.2868007833
H    2.2552304729  -4.0772064398   1.1896619039
*