! 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   5.5217655664  -0.0465871150   3.3947725454
N   -3.1982932152   0.6917470386   0.2889811480
N   -2.6813893928   1.2025020248   1.4104709897
N   -3.7137993327   2.7972436222   0.2258596024
N   -1.7879096628  -3.4824683292  -1.4718181092
C   -1.6448310731  -0.9831257238  -0.7156470232
C   -0.5169121635  -0.9009223717   0.3333502582
C   -3.0309090081  -0.6890852128  -0.0669416722
C   -1.4526371770  -0.0633037172  -1.9163825341
C    0.8508002582  -1.3066996049  -0.2049546171
C    1.9964289460  -0.9831529025   0.7185706662
C   -1.7196394354  -2.3779852861  -1.1597429417
C   -1.9904421011  -0.3927635662  -3.1577423080
C   -0.8270971016   1.1715833851  -1.7657218031
C    1.8527274939  -0.9322346626   2.1024939342
C    3.2610267146  -0.7405543976   0.1852081835
C   -1.8981295368   0.4873323191  -4.2262939389
C   -0.7362629465   2.0522338802  -2.8338562982
C   -3.8041145286   1.6566133624  -0.4105581216
C   -1.2704956570   1.7140710639  -4.0681447055
C    2.9290454593  -0.6461392897   2.9306697797
C    4.3490638865  -0.4577204584   0.9952625877
C   -3.0156703928   2.4645930593   1.3302608547
C    4.1721497082  -0.4107393552   2.3690300117
H   -0.8003469026  -1.5448920946   1.1684787484
H   -0.4846831672   0.1107505404   0.7366933561
H   -3.8237341830  -0.9469980726  -0.7674327992
H   -3.1626241181  -1.3001447069   0.8252654666
H    1.0374255699  -0.8214454274  -1.1655312972
H    0.8579034881  -2.3819134000  -0.4107680267
H   -2.4894523773  -1.3427430156  -3.3083278975
H   -0.3991263650   1.4676683422  -0.8169985498
H    0.8913016613  -1.1143439570   2.5650617977
H    3.4046222465  -0.7684266581  -0.8884150050
H   -2.3188339746   0.2094097173  -5.1838383568
H   -0.2455443287   3.0067015402  -2.6951242120
H   -4.2942340439   1.4772128447  -1.3548941321
H   -1.1969911251   2.4008808948  -4.9012211621
H    2.7909481557  -0.6074439112   4.0028298253
H    5.3197131090  -0.2706173300   0.5560094872
H   -2.7518808252   3.1726504136   2.1005382218
*