! 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  -5.6212106294  -0.0736339248   0.5687998273
O    2.7417931776  -0.9312795000  -1.5699181355
O    0.0561600633  -0.9878381300  -0.5546474174
N    1.1524025610   1.0486283290  -0.3396238899
N    1.2062078330   2.0557454346   0.5384101397
N    1.1127392913   2.8457657750  -1.5516469944
C    3.5502985033  -0.9826848663   0.7654959480
C    2.3776177009  -1.1374670761  -0.2293607027
C    1.1047409382  -0.3324971824   0.1038947643
C    4.0899346818   0.4462738948   0.8532926136
C    3.1003686530  -1.4368577908   2.1560696252
C    4.6788643600  -1.9105310713   0.3011965208
C    1.0857620099   1.5364061152  -1.5861749534
C   -1.2349473272  -0.7051704691  -0.2395265240
C    1.1890675509   3.1113901696  -0.2317888836
C   -2.1915575043  -1.4157834671  -0.9604982305
C   -1.6379129228   0.2072698881   0.7281925496
C   -3.5380197922  -1.2255609695  -0.7141897457
C   -2.9921462957   0.3972821525   0.9738483665
C   -3.9337379865  -0.3164319251   0.2566663239
H    2.0628753605  -2.1848556152  -0.1607116116
H    0.9435139838  -0.3016052377   1.1838372053
H    4.9886782870   0.4628673109   1.4729489024
H    4.3838328732   0.8564453982  -0.1171461500
H    3.3787836959   1.1378701487   1.3036349624
H    2.6726451997  -2.4420551095   2.1343239256
H    2.3614518490  -0.7712282509   2.6056778059
H    3.9528557578  -1.4613342836   2.8368262309
H    5.4887817065  -1.9087835140   1.0324829532
H    5.1079997507  -1.6038131414  -0.6532921665
H    4.3371848289  -2.9425171105   0.1948916400
H    3.3460146584  -0.1837185675  -1.6350981795
H    1.0042575766   0.9219995564  -2.4680169471
H    1.2310379756   4.1109995179   0.1718045717
H   -1.8773875034  -2.1246620799  -1.7160742074
H   -0.9356926516   0.7912624847   1.3065627530
H   -4.2704506863  -1.7864777548  -1.2786327299
H   -3.2960668302   1.1099073174   1.7285046687
*