! 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  -0.6823325487  -0.6191470248   2.3116036841
Cl   2.1348772356  -4.0660419432  -0.6139999651
O   -1.9026658565   1.2262269819   0.3016079379
O   -0.7013593879   1.8865023161  -1.4456271411
N    1.5969453740   2.1819586988   0.5600186686
N    2.1976049760   2.6062381236  -0.5525275568
N    3.6801831282   1.6387686910   0.8188687028
C   -0.5962009145   1.3171234409  -0.1767820990
C   -2.7782753634   1.0322646860  -0.8082908989
C   -1.9058400957   1.4049192269  -2.0178046520
C   -3.3177589504  -0.3849988507  -0.8821729199
C    0.1737354413   2.2791897823   0.7385137383
C    0.0845899429  -0.0518808940  -0.2537048865
C   -4.1395552463  -0.8281878077   0.3236916548
C    0.0752026362  -0.9714187599   0.7931428965
C    0.7885520770  -0.4061948787  -1.4007001250
C   -5.4128856323  -0.0237192391   0.5428337824
C    0.6973041883  -2.2064125172   0.6919353779
C    1.4218494985  -1.6304757928  -1.5299675539
C    2.4896563631   1.5983208555   1.3637099724
C    1.3608297794  -2.5273082770  -0.4790376708
C    3.4442802401   2.2638944618  -0.3512487769
H   -3.6001065678   1.7431795489  -0.6914388409
H   -1.7199791415   0.5396777353  -2.6643386720
H   -2.3392788584   2.1984635379  -2.6260699310
H   -2.4857370943  -1.0799175608  -1.0329400508
H   -3.9339725044  -0.4494582928  -1.7859352133
H   -0.0447208393   2.0537990064   1.7799519818
H   -0.1504511189   3.3014336803   0.5438416381
H   -3.5206704361  -0.7922303426   1.2229804608
H   -4.4027498570  -1.8796361711   0.1839469375
H    0.8494003388   0.2906503132  -2.2244874008
H   -5.2084669942   1.0137752110   0.8111521471
H   -6.0389514078  -0.0150939011  -0.3518613885
H   -6.0075689022  -0.4494167336   1.3522403617
H    0.6670407497  -2.9024260588   1.5188265544
H    1.9550906142  -1.8725096599  -2.4386862248
H    2.2308472102   1.1757947364   2.3221447842
H    4.2161154911   2.4742005462  -1.0751233053
*