! 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   4.3212297780  -0.2520471122   0.3119160374
O   -1.4879813832   0.2376975196  -0.1142402667
O   -4.5907930085  -1.4044807064  -0.1799602130
O   -4.0665032843   0.7638646200  -0.3572475265
C    0.6195604706   1.2171186797  -0.0655568377
C   -0.1558717920   0.0489606368  -0.0099403082
C    1.9965149671   1.0994121801   0.0355200261
C    0.4458085342  -1.1929950125   0.1427638398
C   -0.0349117326   2.5543455055  -0.2293486711
C    2.5938885262  -0.1455643529   0.1883983938
C    1.8289836189  -1.2921913403   0.2426773444
C   -2.3298889081  -0.8793929187  -0.0749662619
C   -3.7452356934  -0.3849617717  -0.2205053219
H    2.6080749372   1.9920080336  -0.0062782814
H   -0.1352269826  -2.1042866366   0.1882447772
H   -0.7162955002   2.7746311803   0.5946546237
H    0.7090309952   3.3489875774  -0.2642523433
H   -0.6214090688   2.6086062174  -1.1484070972
H    2.2883416237  -2.2641700389   0.3614312953
H   -2.1179840040  -1.5854747732  -0.8871251281
H   -2.2431234348  -1.4299973499   0.8695795469
H   -5.5023118764  -1.0888018451  -0.2773414145
*