! 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   0.2629679053  -0.2296821363   1.9440297991
Cl   1.8062724040  -4.3742805860  -0.9985186284
O   -1.1701442444   1.5816008345   0.1993241916
O   -0.9993425620   1.5380384316  -2.0140918672
N    1.6823860729   2.2511266424   0.3480497707
N    2.7462956449   1.4476052324   0.4153658946
N    2.4708116140   2.5469166772   2.3457156912
C   -0.2833988636   1.3043926120  -0.8367464370
C   -2.5000998865   1.3242564666  -0.2513639984
C   -2.3218923185   1.0991223257  -1.7600835789
C   -3.1353438839   0.1511038353   0.4719139035
C    0.8608379945   2.3243577653  -0.8284694101
C    0.2303774395  -0.1374930231  -0.8024720699
C   -4.5940467487  -0.0443025683   0.0736091020
C    0.4937358290  -0.8688140974   0.3548097886
C    0.4954157351  -0.7619607019  -2.0196031213
C   -5.2351018554  -1.2198978399   0.7942813388
C    0.9748285633  -2.1703012684   0.2980854093
C    0.9778317525  -2.0553098755  -2.1041236093
C    1.5265714490   2.8949579526   1.5081658551
C    1.2104595728  -2.7533044442  -0.9326125770
C    3.1855495879   1.6563079570   1.6291506191
H   -3.0849710305   2.2295832395  -0.0595583708
H   -2.4414023571   0.0427920332  -2.0299755610
H   -3.0049147488   1.6887076543  -2.3701613005
H   -3.0742434979   0.3201445071   1.5502647038
H   -2.5693960086  -0.7623004263   0.2621769215
H    0.4323564790   3.3253663133  -0.8910107808
H    1.4973675286   2.1739827733  -1.6990545389
H   -4.6741697138  -0.2002124560  -1.0070375099
H   -5.1565249093   0.8688000271   0.2909505183
H    0.3145074432  -0.2243761158  -2.9402043135
H   -5.2147106084  -1.0816404733   1.8768019500
H   -6.2772385129  -1.3474464884   0.4985837161
H   -4.7143774484  -2.1531576920   0.5723645532
H    1.1651288002  -2.7173610176   1.2105904759
H    1.1646577386  -2.5060094557  -3.0684492970
H    0.7322593624   3.6013010547   1.6865223707
H    4.0605215026   1.1545158640   2.0110342817
*