! 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   3.8381089795  -0.8871597776  -0.1105167868
O   -1.6301137756   1.1144848040   0.4693696290
O   -2.6992761982  -0.3648765689  -1.4421160557
O   -3.8455487576  -1.6338255143   0.0011293739
C    0.6109289028   1.4777373362  -0.0499637059
C   -0.3898486771   0.5839316373   0.3570493732
C    1.9056958558   1.0016964675  -0.1872062774
C   -0.0817738157  -0.7430685665   0.6263625798
C    0.2861781831   2.9132012844  -0.3288974117
C    2.2065140973  -0.3272679472   0.0779606780
C    1.2220512530  -1.2028940803   0.4871894573
C   -2.6969026082   0.2830918955   0.8343849003
C   -3.1358384204  -0.6899811057  -0.2408924301
H    2.6859691453   1.6810344412  -0.5059619878
H   -0.8306201287  -1.4519921625   0.9535195209
H   -0.4626496007   3.0157612974  -1.1158467976
H   -0.1069622190   3.4174011710   0.5557853021
H    1.1759460813   3.4542591059  -0.6473533021
H    1.4477989617  -2.2383538949   0.7014710336
H   -2.5069187371  -0.2701414623   1.7594675131
H   -3.5446323832   0.9448379305   1.0339685884
H   -3.0182116015  -1.0052970313  -2.0986389040
*