! 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   -0.9065772714  -2.7503200944  -0.5480779989
O    2.5649302243   2.2799493362   0.2634758051
O    0.5673118101   3.2611587375   0.4940025959
N   -0.9983349336  -0.4944215945  -0.2863509719
N    1.0404208240  -1.5851030400  -0.5691497577
N   -1.5282052409   1.5897753278   0.1361468053
N    0.7945971419   1.0142142160  -0.0180498280
C    3.0767102753  -2.6414849614   0.3160286706
C    1.9405430185  -2.7135219288  -0.6941303071
C   -2.4001656227  -0.4233919814  -0.2551478705
C    4.0049595760  -1.4452367505   0.1349432271
C   -2.7178870551   0.9065345079   0.0133655740
C   -0.4847406049   0.7657327605  -0.0449067374
C   -0.2778246807  -1.7119065275  -0.4772157647
C   -3.4077050825  -1.3576972169  -0.4433897915
C   -4.0202650842   1.3568817972   0.1119850789
C    5.1399220542  -1.4335314328   1.1475136204
C   -4.7201725101  -0.9101333664  -0.3465521896
C   -5.0263526054   0.4198148918  -0.0723883550
C    1.2351426264   2.2668037790   0.2639521189
C    3.2032118714   3.5165284667   0.5578049807
H    3.6591130190  -3.5625086815   0.2207077573
H    2.6590653221  -2.6425707358   1.3275901463
H    1.3751556718  -3.6323186764  -0.5517441147
H    2.3462349787  -2.7438315288  -1.7098629123
H    4.4171652368  -1.4590061472  -0.8788329120
H    3.4493737249  -0.5065681279   0.2250304679
H    1.4224649602  -0.6453092133  -0.4707514128
H   -3.2007520820  -2.3925251010  -0.6567477127
H   -4.2413663754   2.3945871454   0.3221312966
H    4.7589431052  -1.3753444601   2.1691206384
H    5.7496507320  -2.3363149830   1.0748864237
H    5.7994561188  -0.5780082007   0.9952833742
H   -5.5223742046  -1.6216362322  -0.4897291931
H   -6.0606373817   0.7288406036  -0.0033870913
H    2.9495249982   3.8777811885   1.5552830062
H    4.2713137683   3.3178695540   0.5163943994
H    2.9579986415   4.2860618872  -0.1752374698
H   -1.4098898811   2.5746420488   0.3300051197
*