! 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    3.9749205971   1.0174152204  -0.8858179495
O    1.4019129517   1.9189113995   0.6214060406
O    3.5042441462  -0.2045168778   0.9208692556
N    0.7909733651  -0.1419467150  -0.0100451581
C    1.9370689824  -0.1553472730  -0.9180959522
C   -0.2031810425  -1.1623781146  -0.0858976409
C   -1.1293003615  -1.1143772337  -1.1356405743
C   -0.2314668985  -2.1850844158   0.8661356556
C    0.6145132976   0.9877286582   0.7210679606
C   -0.5760183559   1.0667261256   1.6550090612
C    2.1857366135  -1.5283781724  -1.5310614819
C    3.1983248457   0.2329448220  -0.1591625970
C   -2.1007285488  -2.1043114784  -1.2095184827
C   -1.2284742163  -3.1534179756   0.7632872334
C   -1.8530259543   1.4082519847   0.9280342031
C   -1.0889198961  -0.0329301187  -2.1717766674
C    0.7473505308  -2.2606982956   1.9994638148
C   -2.1545423404  -3.1158532022  -0.2641051314
C   -2.9402360173   0.5422594607   0.9584790617
C   -1.9605615535   2.5972612095   0.2090523368
C   -4.1119439092   0.8528223138   0.2835297638
C   -3.1292587046   2.9076441827  -0.4706682452
C   -4.2090327988   2.0349345022  -0.4366259548
C    5.2365282750   1.3849453516  -0.3284731408
H    1.7797090802   0.5668211236  -1.7243995608
H   -0.3442729050   1.8447590338   2.3841885295
H   -0.7023075069   0.1379774253   2.2112914739
H    1.3600160203  -1.8462386730  -2.1651249605
H    3.0731322491  -1.4837597828  -2.1632020761
H    2.3514205556  -2.2915882575  -0.7710382822
H   -2.8295470615  -2.0752281369  -2.0103153806
H   -1.2700712468  -3.9494687002   1.4973464145
H   -0.3592510700  -0.2566848280  -2.9546844937
H   -2.0573508046   0.0697759643  -2.6594221445
H   -0.8300159104   0.9395399060  -1.7563203739
H    1.0624305761  -3.2911122927   2.1669603646
H    1.6385174123  -1.6616794103   1.8306869795
H    0.2935210183  -1.9169590083   2.9325336263
H   -2.9214852412  -3.8772455878  -0.3294076987
H   -2.8691213700  -0.3887690621   1.5084225388
H   -1.1249612538   3.2869466729   0.1761147032
H   -4.9489441939   0.1673757455   0.3172595884
H   -3.1971311125   3.8336213240  -1.0275262917
H   -5.1219383156   2.2767333631  -0.9658923364
H    5.7175564460   2.0178867030  -1.0691653699
H    5.8629955193   0.5126899237  -0.1408271708
H    5.1130981557   1.9475494397   0.5971129729
*