! 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   2.1084140223  -0.7066089807  -1.9006131294
Cl   0.4786790440  -5.3677588703   0.0953932522
O   -0.8511943040   1.0816270504   0.9951292592
O    0.0866265702   1.2436030444  -1.0169077230
N    1.5457647850   2.6691228227   0.8793787269
N    2.2449665321   3.3304400211  -0.0447566004
N    1.1257089688   4.7616720246   1.2622967285
C    0.2560279804   0.6773083528   0.2396561049
C   -1.9129535213   1.4639620871   0.1171609119
C   -1.3050006355   1.2319098084  -1.2662343945
C   -3.1755364167   0.6704969969   0.3867562817
C    1.5176352397   1.2311223700   0.9037349356
C    0.3319635882  -0.8492729065   0.1777014991
C   -4.3451069701   1.1421329824  -0.4701628328
C    1.1199694568  -1.5350605082  -0.7461942722
C   -0.3834743555  -1.6152594217   1.0933873007
C   -5.6147238933   0.3513317793  -0.1962222774
C    1.1685604404  -2.9210760481  -0.7802612345
C   -0.3493547084  -2.9992642896   1.0864318648
C    0.8777314774   3.5336437366   1.6475510106
C    0.4256651462  -3.6416560552   0.1378259017
C    1.9665560644   4.5786902517   0.2249377167
H   -2.1079702575   2.5299998000   0.2779271878
H   -1.6237050536   0.2717423504  -1.6920887968
H   -1.5363082566   2.0194972473  -1.9814547118
H   -3.4416180721   0.7663418336   1.4434640924
H   -2.9878306559  -0.3925348360   0.2032189870
H    2.4152957587   0.8757025632   0.4031555289
H    1.5586792355   0.8814006294   1.9351136936
H   -4.0924592165   1.0586481810  -1.5318423903
H   -4.5277023186   2.2047685975  -0.2845365098
H   -0.9912690762  -1.1218521916   1.8383434067
H   -5.4796214815  -0.7087240353  -0.4203876782
H   -5.9146015550   0.4296143713   0.8507884341
H   -6.4467249727   0.7105638786  -0.8033824706
H    1.7803145906  -3.4266935514  -1.5147016322
H   -0.9226208513  -3.5607886915   1.8109254174
H    0.2436299266   3.2307560340   2.4651724049
H    2.3914047738   5.3918927140  -0.3433341026
*