! 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    0.3971080216  -2.8426451013  -0.0112544416
O    3.3505856690   0.3091346322   2.1857447327
O    0.0573519062  -0.1118099557  -0.0812754754
O    0.6546248204   0.7476667066   1.9019105055
O   -4.0229000454  -3.1323672416  -0.7691387183
O    3.4156712735   2.0670470472  -2.0169880826
O   -2.4665011272  -1.5018610153   3.2902202279
O    3.4337590958   4.7970868792   1.7441521664
N   -1.0849168826   0.6587298704   0.0307674185
N   -1.7778500098  -3.0097207997  -0.3755067425
N    3.3986912127   1.1473093287   0.0708559139
N   -0.9836297477  -2.1917236907   1.6916598909
N    3.4186004572   2.5265691898   1.9854044192
C    1.7854133611  -1.1762296423   1.0996585643
C   -1.7340686358   0.7522821668  -1.0621177732
C   -1.3191670134   0.2289078098  -2.3804351918
C   -3.0267965029   1.4607284047  -0.9508131631
C    1.5297724797  -2.4793348516   0.6624899021
C    3.0327435484  -0.9258128326   1.6870166898
C    2.4675909975  -3.4868089855   0.8237091866
C    3.9810833518  -1.9180383985   1.8337776755
C    3.6884671839  -3.2030926366   1.4071932400
C    0.7843430761  -0.0823902074   1.0489057699
C   -0.0977104587   0.5791773703  -2.9492566072
C   -3.5265831936   2.1821170629  -2.0343419519
C   -2.1925375761  -0.5971341143  -3.0835690630
C   -3.7485687738   1.4395373897   0.2444414637
C    0.2460302748   0.0997039856  -4.2041087577
C   -4.7170641817   2.8841737462  -1.9191782385
C   -1.8377420417  -1.0904762282  -4.3292911754
C   -4.9405844723   2.1356663423   0.3525780878
C   -0.6173098913  -0.7424482647  -4.8916009594
C   -5.4264436542   2.8629711953  -0.7269339383
C   -0.8405398686  -2.6639063794   0.4761851535
C    3.3880401273   1.3716167359   1.3628142349
C   -3.0226362690  -2.8091124581   0.0340607250
C    3.4084298267   2.2255398303  -0.7032867209
C   -2.2370909892  -1.9856216951   2.0834684031
C    3.4219177486   3.5946160974   1.1984155483
C   -3.3299164769  -2.2676663983   1.2753642690
C    3.4088151633   3.5127004310  -0.1901163234
C   -3.7358508805  -3.8554079023  -1.9624651599
C    3.5734751594   0.7502623361  -2.5394981666
C   -1.3650697280  -1.2820915087   4.1684436541
C    3.4110853489   4.9070160983   3.1642455922
H    2.2351928655  -4.4866668196   0.4825409428
H    4.9370429076  -1.6835868898   2.2822818368
H    4.4217025957  -3.9888202680   1.5265911716
H    0.5708692932   1.2545764694  -2.4314189066
H   -2.9803604148   2.2137437972  -2.9681823450
H   -3.1554651541  -0.8519476969  -2.6586027030
H   -3.3812749461   0.8689977613   1.0870142392
H    1.1886899750   0.3873970232  -4.6507647460
H   -5.0891068019   3.4492241060  -2.7636257927
H   -2.5190717767  -1.7373450760  -4.8663469173
H   -5.4951905080   2.1064407513   1.2813197162
H   -0.3439660479  -1.1179593355  -5.8690168116
H   -6.3575315908   3.4077142872  -0.6394601114
H   -4.3467922727  -2.0982337036   1.5980840004
H    3.4068944916   4.3895168083  -0.8210728953
H   -3.3386053308  -4.8466325435  -1.7391351556
H   -3.0301795807  -3.3324825336  -2.6063732700
H   -4.6863690767  -3.9601228097  -2.4792618145
H    2.7781173505   0.0779417528  -2.2180740340
H    4.5334331912   0.3201746178  -2.2507134823
H    3.5471654803   0.8587483013  -3.6207346214
H   -0.8114016207  -2.2019405454   4.3580022142
H   -1.8002396696  -0.9287595747   5.0997199187
H   -0.6832911259  -0.5261672543   3.7817500629
H    2.5233557598   4.4405901158   3.5918451078
H    3.3914413174   5.9732135319   3.3750744797
H    4.2999156521   4.4685236498   3.6184731515
*