! 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  -0.9657506174  -3.4750743720   1.8644524266
O    3.2334000186   1.0661144625  -1.4995042448
O    2.4923730718  -1.0218015392  -1.5410513764
O    1.3310732904  -1.8266216668   1.3156861183
N    0.3495319571  -0.0930294229   0.2483510116
C    1.6279143221   0.5754764559   0.1109195659
C    1.6111123805   2.0761900466  -0.1362210118
C    2.9871694209   2.2709468878  -0.7520400299
C   -0.8527991819   0.5644440881  -0.1545731185
C    2.4662985692   0.0727762512  -1.0571423468
C   -1.4877434833   1.4242190218   0.7490670878
C   -1.3622957667   0.3470896593  -1.4410686693
C    0.3289116131  -1.2905225394   0.8949988163
C   -2.6480875049   2.0749388462   0.3387856800
C   -2.5274404911   1.0121313970  -1.8084350435
C   -0.9758788598   1.6677675206   2.1385284175
C   -0.6916995611  -0.5606999695  -2.4277206395
C   -1.0567624601  -1.8960494807   1.0632565279
C   -3.1634262185   1.8734456922  -0.9291657310
H    2.2223148042   0.3764586338   1.0106206250
H    1.4835039573   2.6641831816   0.7695677517
H    0.8361812654   2.3616663541  -0.8482393405
H    3.0431249008   3.1125626721  -1.4382513107
H    3.7658814381   2.3781554607   0.0049320314
H   -3.1515784432   2.7442996255   1.0261158027
H   -2.9407030920   0.8506153760  -2.7964838362
H   -0.7078384258   2.7169877118   2.2739611130
H   -1.7484925635   1.4452495363   2.8760448534
H   -0.1016169462   1.0739624672   2.3946603753
H    0.0563800331  -0.0218685596  -3.0118903004
H   -0.1871124232  -1.4053434096  -1.9647991994
H   -1.4188602915  -0.9564665657  -3.1345644410
H   -1.6928854452  -1.2497865037   1.6677941305
H   -1.5505916276  -2.0344227384   0.1019980607
H   -4.0682052576   2.3840960561  -1.2329377941
*