! 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
O    2.4531704303   0.6118148184  -0.9371638437
O   -2.1905429878   1.2639294861  -1.8643037766
O    0.5828068731  -1.3493144550  -0.6573351174
O    5.6249936029  -1.8505793611   1.0972041403
O   -2.7020196459  -1.3030119255   1.8676559954
O    2.6170309451   0.6255432731   3.6255141859
O   -5.8029410287  -1.4161562525  -1.5919602158
O   -0.6181878933  -1.0344357717  -2.5096250348
N    4.0186294043  -0.6027887798   0.0590478809
N   -2.4143817203   0.0097098700   0.0242543854
N    2.4753480845   0.6377822046   1.3456986785
N   -3.9793785602  -0.0499686162  -1.7407349338
C    0.1219884260   0.8587533542  -1.2831038521
C    1.3446567334   1.4200026900  -0.9313759762
C   -0.9721634883   1.7154953716  -1.4287642201
C    1.4854923174   2.7791197517  -0.7100694917
C   -0.8544177232   3.0710008603  -1.1930436812
C    0.3790172128   3.5983692701  -0.8388784544
C   -0.0166697890  -0.5962081704  -1.5615575512
C    2.9934330482   0.2034291379   0.2219269401
C   -2.8822548106   0.3624867713  -1.1483547411
C    4.5940285070  -1.0261351958   1.1755722269
C   -3.1264701972  -0.8962550888   0.6836797281
C    3.0731282419   0.2158650436   2.4532785614
C   -4.6842947538  -0.9489464896  -1.0663743577
C    4.1633312100  -0.6417321719   2.4394871665
C   -4.3013536780  -1.4328006885   0.1796955891
C    6.0684175807  -2.2711166838  -0.1886410945
C   -1.5210409499  -0.7101248862   2.4021735753
C    1.5125512116   1.5220745696   3.6517552689
C   -6.2142528927  -0.9359268058  -2.8679552907
H    2.4532228513   3.1915577944  -0.4588258051
H   -1.7197215746   3.7109371253  -1.3028389447
H    0.4758294003   4.6617269096  -0.6672237185
H    4.6429823473  -0.9847882165   3.3446957416
H   -4.8807355777  -2.1695906745   0.7167646102
H    0.4992070583  -2.2858729999  -0.8961118006
H    6.4100814057  -1.4319334382  -0.7953224119
H    6.9037831551  -2.9424279620  -0.0060872703
H    5.2894511535  -2.8087424084  -0.7302882949
H   -1.3588010099  -1.1926198227   3.3627510125
H   -0.6567182704  -0.8786785691   1.7600031730
H   -1.6517088764   0.3616934803   2.5551687959
H    1.3230367015   1.7252372292   4.7030288874
H    1.7354119159   2.4575262397   3.1374200397
H    0.6209300867   1.0804838341   3.2052062682
H   -5.4814558407  -1.1637625502  -3.6424303983
H   -7.1428299907  -1.4552898321  -3.0911031185
H   -6.3991601132   0.1384840401  -2.8560996011
*