! 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    0.9032218803   1.1289737861   1.0728534061
O   -5.0362586812  -1.0749302832  -0.7583302254
O    1.6678127383   0.7082992317  -1.0036800256
O   -3.0234961751  -1.5129113808   0.1496306484
N   -3.6345708692   0.5956840281  -0.4980726871
N    2.8329883124   0.0916153585   0.8727413219
C   -2.5053167933   1.3521627680  -0.1946831455
C   -0.2543778735   1.6716478640   0.5470751262
C   -1.3128346828   0.8173932318   0.2907484314
C   -2.5943845582   2.7307730384  -0.4092304266
C   -0.3237044329   3.0348802495   0.3411251480
C   -1.5171757718   3.5546961210  -0.1415422836
C    3.9812305079  -0.5208938335   0.3608611544
C    4.8800507649  -1.0349236263   1.2984003486
C    4.2731012384  -0.6435640926  -0.9976482477
C    1.8041842832   0.6390854273   0.1919883010
C   -3.8246308692  -0.7385273224  -0.3230894331
C    6.0464809846  -1.6574765752   0.8897100037
C    5.4479526430  -1.2710731846  -1.3909125876
C    6.3413042557  -1.7807449548  -0.4615197617
C   -5.4447528533  -2.4430764438  -0.6128804096
C   -5.9538981452  -2.7416428669   0.7773310620
H   -1.1971389077  -0.2390310075   0.4746902801
H   -3.5156955456   3.1590331641  -0.7858519505
H    0.5227195393   3.6741718806   0.5545276724
H   -1.6080491860   4.6188117259  -0.3142415926
H   -4.4117929798   1.1082507008  -0.8890278301
H    2.7644168073   0.1171014950   1.8802494638
H    4.6629565274  -0.9475531779   2.3569343123
H    3.6044797130  -0.2608139003  -1.7516266340
H    6.7266649288  -2.0478493922   1.6357474416
H    5.6601678649  -1.3582533396  -2.4489458998
H    7.2523923134  -2.2672152928  -0.7838806575
H   -4.6309088336  -3.1136678734  -0.8926691566
H   -6.2402352171  -2.5673064685  -1.3460972624
H   -6.7843512030  -2.0882311071   1.0472115560
H   -5.1749560803  -2.6444913605   1.5335177048
H   -6.3176505140  -3.7697263097   0.8093863252
*