! 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    0.9384834910   2.4931340322  -0.4252032597
N   -1.1179482847   1.5848581142  -0.2333715951
N   -1.4981056566  -0.5901866504   0.4951639021
N   -3.2667992602   0.7657234374  -0.0803409466
C    2.2347905734   0.0881405757   0.5175938173
C    2.9057697796  -0.3190704937  -0.7964060403
C    0.7521216878   0.2645171501   0.3796944147
C    4.4190748658  -0.4837270035  -0.6967588312
C   -0.1607095377  -0.7250034720   0.6519856415
C    0.2621926350   1.5161912264  -0.1136669598
C   -1.9511598997   0.5581407723   0.0645853841
C    4.8612342955  -1.6089566521   0.2282328813
C    0.2786046829  -2.0640203141   1.1614973269
C   -4.2587180547  -0.2773501969   0.0865432579
C   -4.4685614534  -1.1189928350  -1.1592386945
H    2.6844917881   1.0200578884   0.8712318877
H    2.4468055563  -0.6549358495   1.2884832020
H    2.4637982067  -1.2554632281  -1.1541555352
H    2.6769272930   0.4341006989  -1.5552508716
H    4.8152883609  -0.6712357992  -1.6986833875
H    4.8677889712   0.4591539653  -0.3679658934
H   -1.4964160753   2.4601837109  -0.5745547278
H    4.4017496954  -2.5586810276  -0.0557144122
H    4.6000721952  -1.4167307982   1.2699555894
H    5.9431497707  -1.7468361827   0.1915575606
H    1.0321402458  -2.5175830710   0.5161696776
H   -0.5685138835  -2.7435402590   1.2254108384
H    0.7200420530  -1.9823764079   2.1569023728
H   -3.5711186140   1.6231444968  -0.5134166798
H   -3.9625361406  -0.9065150339   0.9239146084
H   -5.1900782409   0.2120136715   0.3713935550
H   -4.7809942828  -0.5058369315  -2.0054904866
H   -3.5578923304  -1.6491970716  -1.4382656223
H   -5.2471272994  -1.8628138299  -0.9836713510
*