! 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   0.9620165824   0.3590364835  -2.2790997110
Cl  -6.9635009304   2.0233706305  -1.4854438975
O    3.3617875826   1.1480887379  -0.7627860571
O    3.8009163723   0.2236124400   1.2291762931
O   -2.4529699930  -0.3549580534   1.3935743524
N    3.1519900603  -2.4165963664   0.0589139684
N    3.8006562003  -2.8475441358   1.1426281481
N    2.0022670924  -4.1218572694   0.7483350465
C    3.0650010733   0.0520675540   0.0577584217
C    4.0798960559   2.1310470780  -0.0139922620
C    3.5538116919  -1.2263085597  -0.6409028947
C    3.9382507313   1.6219315707   1.4146854306
C    1.5694443478  -0.0208038504   0.3613296892
C    5.5120687956   2.2200386515  -0.4966526479
C    0.5766814638   0.1103743595  -0.6057214831
C    1.1441651289  -0.2969739645   1.6589777156
C   -0.7733637177   0.0143453186  -0.3012528191
C   -0.1929686354  -0.3901120511   1.9944509630
C   -1.1560803133  -0.2218626242   1.0106424362
C    2.0774134386  -3.1802767071  -0.1587665112
C    3.0790803948  -3.8712572389   1.5191351827
C   -3.4638523220   0.2215264021   0.6723541317
C   -4.5510335395  -0.5724944481   0.3431225587
C   -3.4475252148   1.5700624610   0.3408936670
C   -5.6362330620  -0.0171143782  -0.3172387578
C   -4.5251751358   2.1230429628  -0.3313392810
C   -5.6130680696   1.3262714722  -0.6545439039
H    3.5802037991   3.0941252427  -0.1421458045
H    4.6404039363  -1.2086879523  -0.7139881864
H    3.1529090996  -1.2747612578  -1.6511260197
H    4.8151403182   1.8059145675   2.0348711242
H    3.0618331971   2.0489619461   1.9146755577
H    5.5522098739   2.4300624296  -1.5657807061
H    6.0317667769   3.0295702951   0.0171702138
H    6.0603832478   1.2945864014  -0.3089793700
H    1.8799821194  -0.4388874428   2.4380160774
H   -1.5067386040   0.1147216555  -1.0899736341
H   -0.4879727720  -0.5976226863   3.0144880858
H    1.3990199340  -3.0197400534  -0.9819613591
H    3.3431374188  -4.4672684637   2.3789769571
H   -4.5582852558  -1.6215259607   0.6095837129
H   -2.6071710649   2.1992400450   0.6050483438
H   -6.4869149769  -0.6359034723  -0.5680881027
H   -4.5137879310   3.1727891788  -0.5908174911
*