! 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  -4.7865070907  -1.1494082169   0.4983430652
O    0.5978034055   1.1415872679   0.4356861516
O    5.2052759807  -0.3658262900  -2.4286374272
O    4.8325420179   0.6777612560  -0.4960469352
C    2.2506899108  -0.5398285370  -0.2083130434
C    1.5918612004   0.7962443135  -0.5167953603
C    3.2432644680  -0.9544247675  -1.2830629793
C   -0.6193693061   0.5647023604   0.3906210651
C   -1.4840231198   0.9039881396   1.4442324172
C   -1.0473824098  -0.2965600172  -0.6135098300
C   -2.7615506043   0.3660418302   1.4557537176
C   -1.0291078482   1.8323427740   2.5283619954
C   -2.3312891000  -0.8269294553  -0.5867517379
C    4.4889681664  -0.1152581579  -1.3380385501
C   -3.1803019941  -0.4923027899   0.4482270521
H    1.4946943220  -1.3246707747  -0.1362688137
H    2.7409962929  -0.4906139334   0.7659495125
H    1.1817042596   0.8109899340  -1.5327469296
H    2.3210474929   1.6038807807  -0.4606336851
H    2.7724272610  -0.9626753943  -2.2700481137
H    3.5647323400  -1.9859112061  -1.1076712183
H   -0.4023657655  -0.5741601124  -1.4357851944
H   -3.4350719067   0.6218737658   2.2639255767
H   -0.7718713973   2.8180403798   2.1360610906
H   -1.8099617598   1.9689358882   3.2752969273
H   -0.1435881484   1.4530457566   3.0412971750
H   -2.6487660917  -1.4960465147  -1.3748417552
H    6.0154978274   0.1662571108  -2.4231092513
*