! 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    0.2814088085  -3.8806851116   0.6544291960
O    2.3120671588   0.1683799702   2.0709043283
O   -0.3564412701  -0.2039556407   0.8703663520
O   -0.7898823383  -1.7814004928   2.4158061594
O   -0.7799757895  -1.1383154620  -2.8139541285
O    3.2883861673   4.5638894043   2.2274360339
O   -3.9135780251  -4.0719609331  -1.0222551531
O    4.4433969771   2.0487620933  -1.5016739138
N   -1.7042737729   0.0998478599   0.9501145716
N   -0.2124234810  -2.5282449063  -1.1024804118
N    2.7795315320   2.3377215947   2.1511155896
N   -1.7908138799  -4.0166453284  -0.1791644422
N    3.3644813147   1.0648388452   0.2520996641
C    1.3012784654  -1.8102301256   1.3181215942
C   -2.0599924240   1.0298568393   0.1547711092
C   -1.1896566361   1.8530400788  -0.7094398682
C   -3.5188212744   1.2658320564   0.1105032414
C    1.4099917451  -3.1274247551   0.8660980782
C    2.4599406166  -1.0899707618   1.5470027450
C    2.6415916936  -3.7066778156   0.6521266583
C    3.7099397132  -1.6630786692   1.3640764693
C    3.7889365057  -2.9692591019   0.9193147668
C   -0.0518673569  -1.2713450569   1.6246634309
C   -0.1192877577   2.5741126784  -0.1864827170
C   -4.0178336485   2.5513848026  -0.0941041288
C   -1.4888342402   1.9503392813  -2.0671459576
C   -4.4104432956   0.2052479180   0.2786685898
C    0.6391166757   3.3846308528  -1.0169763372
C   -5.3861859199   2.7746056667  -0.1129827147
C   -0.7088281344   2.7382916466  -2.8982368971
C   -5.7765610017   0.4306191983   0.2477909735
C    0.3546596293   3.4588622194  -2.3732402689
C   -6.2675977315   1.7158084835   0.0554948870
C   -0.6100464426  -3.4487506413  -0.2607122045
C    2.8523346497   1.2296766900   1.4463006496
C   -1.1261269214  -2.0769143738  -1.9516534782
C    3.3280965269   3.4068580745   1.5892798920
C   -2.6938000308  -3.5635228731  -1.0410519997
C    3.9114858357   2.1424810908  -0.2949828833
C   -2.4261774714  -2.5598839916  -1.9665130341
C    3.9460010084   3.3728695136   0.3448512721
C    0.5571343778  -0.6442582365  -2.7694233808
C    2.6442172449   4.6263912795   3.4957948805
C   -4.2229709985  -5.0798020618  -0.0647011791
C    4.4033146631   0.7903383882  -2.1655400723
H    2.7063687008  -4.7240459537   0.2902086108
H    4.6089645887  -1.1017311419   1.5764877136
H    4.7594944265  -3.4227542641   0.7717556170
H    0.0975548420   2.5331946211   0.8732010772
H   -3.3392783022   3.3845401750  -0.2252048819
H   -2.3295560873   1.4060873715  -2.4774583791
H   -4.0298492614  -0.7981199703   0.4179683246
H    1.4479973364   3.9720866757  -0.6051145319
H   -5.7635684529   3.7778769423  -0.2605109406
H   -0.9390134163   2.7979231178  -3.9539478894
H   -6.4600360943  -0.3997059620   0.3679302693
H    0.9545768034   4.0890115478  -3.0170422109
H   -7.3354159611   1.8902079041   0.0316532993
H   -3.1780139441  -2.1875667730  -2.6470696866
H    4.3935472567   4.2478804225  -0.1038200852
H    0.7840366480  -0.1770769069  -1.8111143900
H    0.6241023045   0.0977939045  -3.5601456055
H    1.2798572290  -1.4379965743  -2.9611442335
H    2.7279577603   5.6616566060   3.8165392649
H    3.1304930263   3.9836308769   4.2298120598
H    1.5896058462   4.3575559618   3.4283437319
H   -3.6047446903  -5.9678824118  -0.1961654511
H   -5.2636881758  -5.3404943369  -0.2397141618
H   -4.1122159204  -4.7149167632   0.9567538570
H    3.3789383895   0.4674088069  -2.3560590159
H    4.9182196364   0.0143151655  -1.5989706945
H    4.9124419538   0.9409693739  -3.1140583336
*