! 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   -5.5328167737  -1.1767763824   1.5346396896
O   -1.9803071997  -1.0599306171   1.1944962392
O   -2.2214151032   0.9985373342  -0.4695677433
O   -2.8400006212  -0.7146920246  -1.7584360437
O   -0.8315235841  -2.5176954230  -0.0703197742
O   -5.7731833621   0.0241004641   3.4124127930
O    2.2675002647   1.2031235649   0.1487145887
O    4.8907235681   1.3496357696  -0.7045584113
O    6.8253945050   0.1062217114  -1.9559847573
O    6.5250806750   1.4627590660   0.9320097585
O    6.5125490879  -0.7703137405   1.0604429476
N    1.1015677940  -0.6162470012  -0.4961236461
N    3.1653671158  -1.7107317139  -1.6448751631
C   -4.3987423194   0.0823128466  -0.1331158686
C   -4.2508236464  -0.6311898607   1.2335697154
C   -3.2258734797  -1.7768529616   1.2704213225
C   -4.9950043130   1.4857070110   0.0388399799
C   -3.0926371699   0.0839664761  -0.8920617396
C   -3.2692761514  -2.5928613749   2.5428161669
C   -5.2122152339   2.1701652048  -1.2833815315
C   -0.1349331725  -0.2036149970   0.0968124375
C   -0.8598522273   0.8020710398  -0.8407649548
C   -0.9965867018  -1.4187003502   0.3823643631
C   -6.1945058532  -0.7874607199   2.6299003924
C   -7.5223475893  -1.4898458620   2.7659293018
C   -4.3481318480   3.1662730901  -1.7304074980
C   -6.2740135520   1.7914190139  -2.1033834633
C   -4.5392737331   3.7696982659  -2.9669068704
C   -6.4672022282   2.3912005334  -3.3389563276
C   -8.6397885247  -0.4580933218   2.8931821886
C   -7.4774207457  -2.4134901101   3.9829354721
C   -5.5979807586   3.3828995537  -3.7758026081
C    2.2191223367   0.1216018097  -0.4179375110
C    3.3985070214  -0.5120100518  -1.1021733370
C    4.6319636993   0.1124079593  -1.1922136848
C    5.6656787756  -0.5385476840  -1.8948317939
C    4.1356434524  -2.3168234957  -2.2934433874
C    5.4045451829  -1.7776641468  -2.4556101429
C    5.1331977955   1.5001407556   0.6636211442
C    8.5578937972   0.4194806700   1.5116892324
C    7.1071202968   0.2734788749   1.1309947839
C    8.6323247735   0.6626292618   3.0230963905
C    9.3599350223  -0.8074704935   1.1069124607
C    7.8973729479  -0.4972985838  -2.6620329475
H   -5.0756162753  -0.5244266133  -0.7398699036
H   -3.9607565323   0.0961965831   1.9962791769
H   -3.3335235643  -2.4352764001   0.4034497608
H   -4.3516748843   2.0897005364   0.6808179727
H   -5.9516104003   1.3923366677   0.5587795823
H   -3.2221831144  -1.9655030289   3.4340149363
H   -2.4298889328  -3.2879641403   2.5671939004
H   -4.1773260911  -3.1927497060   2.5846742645
H    0.0631590973   0.2953732391   1.0487833728
H   -0.3784711182   1.7724719029  -0.7472551426
H   -0.7729040100   0.4693162999  -1.8746718387
H   -7.6940907329  -2.0927290962   1.8724217251
H   -3.5209099320   3.4816653158  -1.1062049927
H   -6.9625183067   1.0226855241  -1.7701579292
H    1.1486432338  -1.4893549898  -1.0059388823
H   -3.8589467295   4.5448443608  -3.2961274352
H   -7.2995122904   2.0869845160  -3.9607784163
H   -9.6048109989  -0.9627849349   2.9472941476
H   -8.6708739615   0.2163833032   2.0358682189
H   -8.5274589109   0.1444983925   3.7950011930
H   -7.3210564925  -1.8506315498   4.9038298642
H   -6.6852610212  -3.1597269042   3.9026828014
H   -8.4217581338  -2.9505363366   4.0750614923
H   -5.7478922928   3.8527547178  -4.7393377970
H    3.9085307025  -3.2868617715  -2.7195310727
H    6.1515503376  -2.3334944049  -3.0045599558
H    4.8196789157   2.5041537272   0.9339434340
H    4.6033447492   0.7638611340   1.2685323271
H    8.9593482179   1.2997347244   1.0034657406
H    9.6709973404   0.7940552594   3.3271445912
H    8.2270080179  -0.1849658998   3.5781917144
H    8.0861662771   1.5575188169   3.3227200016
H    9.3164453070  -0.9865159796   0.0315538655
H    9.0082395617  -1.7075245372   1.6121993824
H    10.4089545407  -0.6685683150   1.3701721878
H    8.7389657607   0.1855003820  -2.5801066822
H    8.1762656687  -1.4612478474  -2.2312922159
H    7.6568761372  -0.6330908717  -3.7188153655
*