! 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   2.5185884031  -0.7266909470  -1.5424135710
Cl   0.5169065287  -5.4403342014  -0.0777673913
O   -1.1105701851   0.9712044623   0.5362694458
O    0.3069454985   1.1908768534  -1.1689005496
N    1.1319638957   2.5892713556   1.1274065723
N    1.8839327902   3.3687260296   0.3471717933
N    0.4900198419   4.6100468692   1.5839936102
C    0.1573176397   0.5973339201   0.0785361133
C   -1.9189923322   1.3749266115  -0.5706316556
C   -0.9748326359   1.2081447192  -1.7614025922
C   -3.1836624950   0.5472893018  -0.6824568058
C    1.2008706475   1.1562617041   1.0508457264
C    0.2737103794  -0.9264524069   0.0127473605
C   -4.1105471901   0.6144452734   0.5271133829
C    1.2839914924  -1.5864893202  -0.6860218508
C   -0.6396202462  -1.7167335964   0.7047318838
C   -4.6378171675   2.0091947181   0.8361833365
C    1.3640000288  -2.9711195957  -0.7208867568
C   -0.5815111022  -3.0995361744   0.6909389995
C    0.2997522873   3.3419484440   1.8529712354
C    0.4230537256  -3.7163096569  -0.0329317720
C    1.4684396456   4.5687927474   0.6561959127
H   -2.1686580391   2.4312435003  -0.4289811680
H   -1.1731724693   0.2781898703  -2.3092971796
H   -1.0240607187   2.0376100831  -2.4656925188
H   -2.9135314259  -0.4945790800  -0.8808593146
H   -3.7208870672   0.8969990208  -1.5708485295
H    2.2086591936   0.8800363077   0.7480714486
H    1.0265153742   0.7353818173   2.0409143313
H   -3.6023506845   0.2117810255   1.4079330803
H   -4.9555535741  -0.0531962692   0.3406018198
H   -1.4249482349  -1.2419359589   1.2752792816
H   -3.8506314753   2.6862405284   1.1729452847
H   -5.1078740052   2.4610297277  -0.0402615558
H   -5.3880227488   1.9748973311   1.6273759212
H    2.1529019345  -3.4572732880  -1.2778944033
H   -1.3118003466  -3.6804355692   1.2368955572
H   -0.4026034805   2.9299814238   2.5599375803
H    1.8900276510   5.4520406428   0.2016078867
*