! 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   -4.4354238163   0.8643729040   0.4557164150
O   -1.3467574176  -0.6997940167  -0.2800908078
N   -2.0755096501   1.4630946373  -0.7015008723
N   -2.0770416135   1.3697204576  -2.0319508302
N   -1.9526717682   3.5120274756  -1.3911701114
C   -3.9927768446  -1.5224361278   0.8272114963
C   -3.6740642090  -0.2383132936   0.0178859351
C   -2.2351075567   0.2851220919   0.1296688332
C   -3.4438740999  -2.7709910134   0.1299032858
C   -3.4551701371  -1.4399981034   2.2559242831
C   -5.5196069773  -1.6665341818   0.8809733331
C   -0.0077695917  -0.5368307812  -0.1104332239
C   -2.0093479727   2.7445864676  -0.3319302451
C    0.7945965806  -1.4935547198  -0.7262072016
C    0.5834854536   0.4800442395   0.6288688402
C   -1.9971248931   2.6206528486  -2.4025962834
C    2.7881218308  -0.4072279294   0.1210793979
C    2.1690002558  -1.4279695251  -0.6061562860
C    1.9664975609   0.5352678608   0.7335004383
C    4.2581434773  -0.3226098882   0.2233243362
C    4.8735872919   0.1363492926   1.3899051061
C    5.0705786381  -0.6893313313  -0.8516542204
C    6.2543027217   0.2326642619   1.4757506984
C    6.4515254858  -0.5991745291  -0.7637237853
C    7.0503095057  -0.1348970748   0.3993618677
H   -3.8720827029  -0.4506347482  -1.0426030317
H   -2.0523734595   0.6091917963   1.1609557860
H   -3.8300628875  -3.6674796496   0.6196405284
H   -3.7566669865  -2.8160271168  -0.9170036407
H   -2.3578552214  -2.8358967015   0.1548393920
H   -2.3634036619  -1.4562149352   2.2938219450
H   -3.7990552741  -2.2958659867   2.8409742258
H   -3.7979543729  -0.5396383459   2.7702321999
H   -5.7875946584  -2.6209913594   1.3384800097
H   -5.9682491021  -1.6557856286  -0.1171911239
H   -5.9951154679  -0.8848672288   1.4751828324
H   -5.3071255261   0.8247010698   0.0501928705
H   -2.0059162180   3.0636163248   0.6988661861
H    0.3360294293  -2.2936931794  -1.2944899623
H    0.0054474656   1.2453397641   1.1276876296
H   -1.9609310930   2.9040083383  -3.4431796081
H    2.7655946108  -2.1983849421  -1.0785359367
H    2.4017061661   1.3545368791   1.2923590463
H    4.2712277044   0.4058632521   2.2487038934
H    4.6226270972  -1.0292474095  -1.7772955265
H    6.7092707711   0.5894080379   2.3909295857
H    7.0608052567  -0.8821046277  -1.6125415913
H    8.1279187575  -0.0596436982   0.4660599167
*