! 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   1.8564393787  -0.0696620797  -2.7415355659
Cl  -7.8332425526   0.8876451445   1.2183373330
O    3.4670893802   0.1192932814  -0.2486296012
O    2.5212087613  -0.4013865260   1.7164151813
O   -2.6212932809   1.5923006582  -1.3547886133
N    3.6798692901  -2.6174068677   0.3997875719
N    4.7520139458  -2.6302064249  -0.3936000515
N    5.2542811343  -3.4831242998   1.6145775665
C    2.3840768305  -0.5336836853   0.3236681335
C    3.8924635462   1.1296861784   0.6554149888
C    2.4366525454  -2.0289990972  -0.0177771680
C    3.5913539771   0.4854058729   1.9995424198
C    1.0488529288   0.0536077528  -0.1271326388
C    5.3470529339   1.4497634241   0.4243690007
C    0.7320376909   0.2730746117  -1.4679708061
C    0.0648511754   0.3629726680   0.8073658321
C   -0.5029118196   0.7624967530  -1.8580560042
C   -1.1735875306   0.8682006059   0.4476405212
C   -1.4563247492   1.0615703766  -0.8962416307
C    3.9946328298  -3.1220197047   1.5959992295
C    5.6689720906  -3.1599977152   0.3727625924
C   -3.8021758715   1.3924132534  -0.6954904881
C   -4.6602220723   2.4777276007  -0.5989926057
C   -4.1806069566   0.1489194081  -0.2062175701
C   -5.9072114452   2.3233619379  -0.0149066652
C   -5.4223950849  -0.0027024946   0.3900708479
C   -6.2782780343   1.0839346222   0.4811460403
H    3.2836608134   2.0336185305   0.5222044979
H    2.3175931026  -2.2003539167  -1.0849380502
H    1.6183519892  -2.5366465497   0.4921111105
H    4.4522907705  -0.0744358408   2.3816314363
H    3.2847351093   1.2088250321   2.7564795256
H    5.6882321459   2.1739530080   1.1650626409
H    5.9653355803   0.5551281751   0.5130844470
H    5.5078938952   1.8876722250  -0.5607406799
H    0.2695113634   0.2139374717   1.8579096056
H   -0.7271363626   0.9190668680  -2.9050551938
H   -1.8951026230   1.1091437883   1.2170947596
H    3.2834933712  -3.2155937658   2.4013611297
H    6.6766632146  -3.3254420060   0.0238709488
H   -4.3601599504   3.4422293384  -0.9877746984
H   -3.5256957561  -0.7089415175  -0.2892923144
H   -6.5770124271   3.1697023741   0.0538913526
H   -5.7182435373  -0.9708478589   0.7704453791
*