! 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   -3.8356549687   0.3281788133  -0.5236251979
O    2.0104494859  -1.5265723497  -0.2189037980
O   -1.4985686127  -1.6495743697  -0.7167771324
O   -2.7274574953   0.0753165022   1.3972936019
N   -0.3476435655   0.2200790202  -0.2527101235
C   -1.5760627503   0.9683046851  -0.5327635522
C    0.8670482990   0.9162835987   0.0242486542
C    1.5710611078   1.4779203907  -1.0438113230
C    1.3177135676   1.0195127825   1.3406433484
C   -1.4823262144   2.4335897393  -0.1255009926
C   -0.4294682828  -1.1208019177  -0.4305496882
C   -2.7493997530   0.3667173036   0.2289950364
C    2.7422050607   2.1746527493  -0.7694056771
C    2.4965011075   1.7220717906   1.5756659665
C    1.0915454953   1.3219813696  -2.4557842082
C    0.5963723358   0.3572321200   2.4738966561
C    3.2013379392   2.2985937886   0.5325449855
C    0.7429758769  -1.9898406562  -0.2674375948
C    0.7468954777  -3.3478531460  -0.1596743298
C    2.1054917837  -3.7329675556  -0.0271699332
C    2.8226680675  -2.5824443754  -0.0757257778
C   -5.0433555702  -0.1129193390   0.0949213551
H   -1.7969923559   0.9131169106  -1.6023872944
H   -1.2632065682   2.5508936946   0.9353424818
H   -0.7257747510   2.9703254710  -0.6947396144
H   -2.4373077303   2.9193734165  -0.3279243850
H    3.3016521997   2.6185132914  -1.5838873574
H    2.8633992400   1.8169931212   2.5905489026
H    0.9063152673   0.2775445536  -2.7132685881
H    0.1630615232   1.8666446984  -2.6423335246
H    1.8292549120   1.7050136414  -3.1596783050
H    0.9350683007   0.7504861517   3.4317666108
H   -0.4829046901   0.4851267126   2.4166093510
H    0.7859631204  -0.7195353966   2.4858470501
H    4.1144297147   2.8443956590   0.7336129453
H   -0.1176416813  -3.9912748899  -0.1655015081
H    2.4968953562  -4.7304063673   0.0868711909
H    3.8796545460  -2.3742340804  -0.0266804457
H   -4.9558899108  -1.1385001708   0.4539470053
H   -5.8074898551  -0.0694573288  -0.6763284331
H   -5.3311737127   0.5365494818   0.9217979249
*