! 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   5.9457439850   1.7137605253  -0.4288252169
O   -2.3450730217  -0.9115204872  -1.5108886359
N   -2.5701663402   1.4680125304   0.1735400370
N   -1.9071955830   2.3952010345   0.8709635692
N   -2.7250284730   3.2818132875  -1.0115491151
C   -1.8568112969  -0.8889673348  -0.1800978367
C   -1.8192850660  -2.2909817640   0.4561793256
C   -0.3596540403  -0.5752611823  -0.3541094699
C   -0.7753901315  -3.0127253122  -0.4054501388
C    0.1947439325  -1.9125676915  -0.8891672091
C   -3.1332974269  -3.0437581940   0.7252936389
C   -2.6718172154   0.1014334082   0.6477206510
C    0.3683615319  -0.1249145621   0.9222192268
C   -4.0337024939  -3.2966599259  -0.4839188594
C   -2.8229401516  -4.3705650902   1.4170885045
C    1.7682971398   0.3332579375   0.6198719983
C   -3.0522087569   2.0115590614  -0.9463894976
C    1.9793938033   1.5216326649  -0.0785688688
C    2.8827384505  -0.4093567858   0.9957481714
C    3.2543403050   1.9539120622  -0.4037308620
C    4.1701559254   0.0066700026   0.6816946478
C   -2.0247123211   3.4634155237   0.1232293537
C    4.3441422279   1.1859376382  -0.0213199716
H   -1.3775576518  -2.1447967751   1.4493003050
H   -0.2522203496   0.2205175332  -1.0974015157
H   -1.2443071528  -3.5105776378  -1.2561791430
H   -0.2605985587  -3.7881954064   0.1620052154
H    1.2099258917  -2.0869573503  -0.5295045663
H    0.2577998794  -1.9000716000  -1.9771251424
H   -3.7101329481  -2.4442075245   1.4392228607
H   -2.3613206236   0.1028684442   1.6909858314
H   -3.7260559365  -0.1854252469   0.6357601135
H    0.4016893227  -0.9357672600   1.6540981084
H   -0.1667099335   0.7019096171   1.3929800811
H   -3.2183861893  -1.3136671054  -1.5342107270
H   -4.8291572037  -3.9950837510  -0.2171023082
H   -4.5497072829  -2.3984941615  -0.8335012668
H   -3.4950508260  -3.7353347210  -1.3256339357
H   -2.3335666441  -5.0754585014   0.7417484856
H   -3.7389231519  -4.8458693036   1.7726704100
H   -2.1703199771  -4.2326187606   2.2816883671
H   -3.6336454658   1.4638902798  -1.6692924210
H    1.1330104997   2.1302122889  -0.3751790840
H    2.7540311460  -1.3321877229   1.5485307902
H    3.3932580280   2.8789809274  -0.9469624694
H    5.0218803653  -0.5883837208   0.9826576314
H   -1.5922043548   4.4089014854   0.4123155737
*