! 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    1.3056648566   0.7929061637  -1.3596705387
N    0.7137866392  -1.9077418165  -0.4266857007
N   -0.2643912265  -1.5613859843  -1.2708951079
N   -1.0335524022  -3.0008994874   0.2520541378
C    3.5298318727   0.7027054650  -0.4417328053
C    2.0701224163   0.1699707999  -0.3691409192
C    4.1101297621   0.2503202401   0.9022834796
C    1.6926087990   0.4523509044   1.0792692473
C    2.9622879533   0.4064824424   1.9066741426
C    2.0428444072  -1.3631641831  -0.5757585165
C    3.5005693023   2.2333123405  -0.4975840763
C    4.3286163208   0.1829355054  -1.6296563601
C    0.5025576302   0.6691935884   1.6401278822
C    0.2381855059  -2.7617844065   0.4787155075
C   -1.2941293389  -2.2379189675  -0.8241459067
H    4.9897630121   0.8334702344   1.1792178275
H    4.4384822838  -0.7905268168   0.8450821313
H    3.0645772997   1.3269768579   2.4848973244
H    2.9415789533  -0.4095618917   2.6322330809
H    2.6824620352  -1.8796735035   0.1379396028
H    2.3940991998  -1.6117002761  -1.5778471696
H    4.5141927915   2.6244491300  -0.3889042708
H    3.1101947892   2.6002750600  -1.4467699158
H    2.8960262699   2.6753246072   0.2973806244
H    5.3123004937   0.6563987335  -1.6542798527
H    4.5018081683  -0.8938146643  -1.5878158723
H    3.8368954556   0.4097044538  -2.5777112631
H    0.4977526310   0.2813674643  -1.5191273628
H    0.8452028698  -3.1836714710   1.2642387796
H   -2.2641115949  -2.1732160430  -1.2911950395
C   -0.8454598255   0.7420007700   1.0483912064
C   -3.4540342314   0.8298925275   0.0675691447
C   -1.1950803983   1.6182658594   0.0209064663
C   -1.8516443618  -0.0525461163   1.6002236957
C   -3.1478926712  -0.0238327128   1.1143253481
C   -2.4885525028   1.6609783482  -0.4765171963
H   -0.4562011833   2.2897869047  -0.3917924453
H   -1.6178235263  -0.7208133237   2.4193713140
H   -3.9053601317  -0.6627918967   1.5479485652
H   -2.7381350684   2.3472033553  -1.2747763029
Cl  -5.0724955778   0.8739998526  -0.5545078780
H    0.5037338054   0.7677142385   2.7246593717
*