! 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   -0.3090667649  -1.8788182310   0.4792964247
O   -0.8559758138  -0.3081491641  -1.0494322491
O    5.0207387281   2.0352810387   0.1632521768
O    2.9004457956   1.7582534255   0.8510270367
N   -2.3127298650  -0.9867867956   0.5863120025
N    4.0799192043   0.0767681898  -0.1662973406
C   -3.4344830637  -0.1741487339   0.3895341050
C   -4.6102482724   1.7096092888  -0.5702509585
C   -3.4625463715   0.9280448627  -0.4633461047
C    3.1572835929  -0.9657104591  -0.2280854797
C    0.9944214719  -1.9527444423   0.0356338346
C   -4.5700314630  -0.4935301471   1.1332123224
C   -5.7369964840   1.3805908004   0.1779602964
C    1.8267298416  -0.8517082383   0.1669482712
C   -5.7095153257   0.2833430812   1.0243206963
C   -4.6143644856   2.9178642941  -1.4594304161
C    3.6207918406  -2.1863129014  -0.7280304015
C    1.4352481641  -3.1639486265  -0.4616251098
C    2.7679734135  -3.2677030924  -0.8356213995
C   -1.1442998477  -0.9783811214  -0.0897803122
C    3.9054933116   1.3283333758   0.3323831381
C    5.0060133031   3.3797322257   0.6341537475
H   -2.5952965387   1.1973737547  -1.0457945730
H   -4.5608755733  -1.3486685152   1.7984280492
H   -6.6344532486   1.9818186856   0.1006040788
H    1.4422552022   0.0681725532   0.5771699459
H   -6.5843922472   0.0248341337   1.6064793819
H   -2.3859754022  -1.6536177199   1.3420818691
H    4.6560704096  -2.2873980432  -1.0294046503
H    0.7614989371  -4.0057093763  -0.5460280213
H   -5.5673985623   3.0319533989  -1.9764726145
H   -4.4542315221   3.8284354166  -0.8779261265
H   -3.8275642883   2.8695704581  -2.2113392850
H    3.1455820699  -4.2055569362  -1.2199874516
H    4.9928881510  -0.1270306413  -0.5470106732
H    5.9817632626   3.7896273979   0.3877221676
H    4.8609283705   3.4258281848   1.7137456218
H    4.2349835559   3.9715201825   0.1406129543
*