! 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  -0.2211319131   2.1285558423  -1.5030405023
Cl  -4.8486516821  -0.1381169868   0.0372737000
O    0.9511784439  -0.3420376158  -0.7035065419
O    4.2128786393   0.9632059116   2.3648186235
O    3.6414280829  -1.1876033008   2.2791498179
C    3.1924114457  -1.0973358649  -0.5418446962
C    1.7414948762  -1.4553421012  -0.3033470604
C    3.6908021931   0.1057119200   0.2437493270
C   -0.3676204358  -0.3692259182  -0.5039869795
C    3.8301928176  -0.1347404234   1.7199797344
C   -1.0831059915   0.7809794634  -0.8559514144
C   -1.0762953684  -1.4460435732   0.0200933600
C   -2.4528225138   0.8594226376  -0.6961696552
C   -2.4519177309  -1.3778398704   0.1894546109
C   -3.1315498533  -0.2292761615  -0.1690402241
H    3.3380527901  -0.9027896700  -1.6065600369
H    3.7935641444  -1.9787261326  -0.3105526959
H    1.5596693789  -1.6920741966   0.7488990410
H    1.4769765699  -2.3372578309  -0.8959415242
H    3.0485789689   0.9765239905   0.0868339393
H    4.6747480648   0.4059395679  -0.1289122020
H   -0.5699207509  -2.3580948688   0.3044528994
H   -2.9803273467   1.7602862801  -0.9785949370
H   -2.9792533549  -2.2285086333   0.5987424753
H    4.3083295704   0.7744491834   3.3106243051
*