! 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   5.1029853048   2.9194736568  -0.9395509257
O   -2.4988219565  -0.6306452632   1.6749319337
N   -1.3015418133  -2.6296915721  -0.1426283111
N   -0.1954273267  -2.6639510847  -0.8893411986
N   -0.0202362895  -4.0954713466   0.8213448854
C   -2.3502037309  -0.3949937909   0.2889992388
C   -3.5829957471   0.4757127878  -0.1268805918
C   -1.0185279910   0.3323133560  -0.0346424264
C   -2.4104068555  -1.7518558407  -0.4475807641
C   -3.6537959394   1.7395377419   0.7394614085
C   -3.4902714211   0.8976910215  -1.5962761088
C   -4.9003451824  -0.2866583722   0.0720311097
C    0.1231669343   0.1226459683   0.9677780645
C    1.3737054431   0.8160721769   0.5051437216
C   -1.1832819366  -3.4894326676   0.8733630574
C    1.7025822224   2.0859326379   0.9691756194
C    2.2178736071   0.2159586962  -0.4261540225
C    0.5440137085  -3.5547716738  -0.2750010032
C    2.8436841422   2.7419209349   0.5298992096
C    3.3636197048   0.8532283088  -0.8758083308
C    3.6680259870   2.1156050473  -0.3901348097
H   -1.1845387677   1.4087975172  -0.0945754738
H   -0.6772156185   0.0351471068  -1.0288354765
H   -3.3166387516  -2.2869880846  -0.1698654658
H   -2.4207316776  -1.6202292253  -1.5274282620
H   -3.7965164862   1.5081686489   1.7944849743
H   -4.5021873006   2.3506987200   0.4243663278
H   -2.7668839059   2.3691115426   0.6540593978
H   -3.4967234093   0.0495531317  -2.2833013173
H   -2.6003378510   1.4908855269  -1.8107216847
H   -4.3522671145   1.5155712119  -1.8559486751
H   -5.0065825325  -0.6730850860   1.0863769877
H   -5.7420176078   0.3854024893  -0.1066739027
H   -5.0205306623  -1.1202501590  -0.6216045942
H    0.3483889410  -0.9360813440   1.1179654861
H   -0.1614842423   0.5278739252   1.9413012405
H   -1.6955068835  -1.0191761377   2.0350768399
H   -1.9617523844  -3.6517390801   1.6029849948
H    1.0625317985   2.5771508910   1.6925004675
H    1.9790284365  -0.7687899886  -0.8100917392
H    1.5233542521  -3.8285947584  -0.6360349820
H    3.0852905856   3.7266244357   0.9070331642
H    4.0112292758   0.3675071768  -1.5934168769
*