! 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  -6.5310276508   4.5338268846   0.9916644376
O    1.7144596916   0.7778747334   0.9496070316
O    1.0357429103  -3.1641279409  -0.0832984466
N    2.2367134391  -1.2503944804   0.1197764189
N    3.2499632433  -3.2491094239  -0.5824035561
N    5.0420338224  -4.5176992522  -0.4322879968
C    1.1063566903  -0.4646740293   0.6973369838
C    3.3881640719  -0.3619142688  -0.1835767167
C    2.6748489204   0.9865437557  -0.0538459006
C   -0.0332009205  -0.3091471012  -0.3204567781
C    0.6403811643  -1.0224249971   2.0309657316
C    4.4899097268  -0.4584377230   0.8676896076
C    3.9524161459  -0.5124509923  -1.5888110012
C   -1.1372007758   0.6350844590   0.1415944663
C    2.0761467348  -2.5453390422  -0.1619167209
C   -2.1788858217   0.8555233976  -0.9568365925
C   -3.2811719169   1.7698468578  -0.5048802662
C    3.4182049527  -3.8299236357  -1.8151090244
C    4.2444850137  -3.7201441845   0.2167673668
C   -4.4228652917   1.2649268337   0.1119175854
C   -3.1672287168   3.1508291949  -0.6440427621
C    4.5423846926  -4.5878549536  -1.7042486841
C   -5.4253756824   2.1041503758   0.5751588002
C   -4.1578479496   4.0075941074  -0.1877624418
C   -5.2826439529   3.4736613370   0.4204933854
H    3.3493251846   1.7837830586   0.2579400598
H    2.2156552870   1.2858835568  -1.0046807091
H   -0.4622111066  -1.2887703400  -0.5309145844
H    0.3770920579   0.0521762308  -1.2687582950
H    1.4900840639  -1.2690527198   2.6682745170
H    0.0298684771  -1.9132499328   1.9070036284
H    0.0387061192  -0.2790549073   2.5539106068
H    4.0978368222  -0.3398127260   1.8782323580
H    5.2243275327   0.3306518442   0.6996934522
H    5.0275505918  -1.4027515653   0.8182552553
H    3.1627283948  -0.5905441640  -2.3372721787
H    4.5397680568   0.3769076868  -1.8254364526
H    4.6189979298  -1.3660323027  -1.6945122091
H   -1.6379965560   0.2300113422   1.0250710217
H   -0.7168431128   1.6001748400   0.4353187043
H   -2.5974492482  -0.1080321817  -1.2593521787
H   -1.6896206971   1.2743798050  -1.8403281288
H    2.7552086491  -3.6345831082  -2.6412462636
H    4.3112670606  -3.4684800014   1.2637571323
H   -4.5403495734   0.1944778861   0.2330551292
H   -2.2909090152   3.5732011708  -1.1216722697
H    5.0182011874  -5.1778460444  -2.4718722543
H   -6.3064020877   1.6910216478   1.0478611738
H   -4.0514333797   5.0772986582  -0.3093650374
*