! 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   -2.5851349860   0.0465851532   0.7574384585
O   -0.0443178871   3.1357732495  -1.7402838523
O   -1.5313556989   0.8948285987  -1.8531885272
O   -2.5740671638  -2.0903267171   1.3803335719
N   -0.1675532176  -0.2740860611  -0.4727820440
C   -1.1093496601  -1.3952899564  -0.4083346532
C    1.1506906485  -0.4203597110   0.0580019679
C    1.3834256821  -0.1831782523   1.4195112509
C    2.1881827294  -0.8131284853  -0.7955184398
C   -0.4314966388  -2.7463385791  -0.2710269759
C   -0.5017646555   0.8204692758  -1.2113211401
C   -2.1551777375  -1.1978078688   0.6865895984
C    2.6717467501  -0.3517382482   1.9133419552
C    3.4662756208  -0.9667275713  -0.2622163286
C    0.2894842163   0.2502715572   2.3483299375
C    1.9958415515  -1.0655854507  -2.2631913077
C    3.7082144202  -0.7434904406   1.0803324852
C    0.4983548745   1.9761142152  -1.1928741880
C   -3.5695644675   0.3487355395   1.7447087888
C   -0.9212860224   3.8168059897  -0.8726592235
H   -1.6714276456  -1.3969691113  -1.3487267881
H    0.2674857885  -2.9105464662  -1.0877954016
H    0.1044433748  -2.8642663957   0.6689428362
H   -1.1790237477  -3.5340480310  -0.3299517000
H    2.8648494028  -0.1683207409   2.9632347437
H    4.2773384443  -1.2698237540  -0.9138424180
H   -0.3622868434   1.0021458221   1.9049078511
H   -0.3331101371  -0.5921400951   2.6582430605
H    0.7094935829   0.6744727086   3.2594003792
H    2.5453034096  -0.3321743915  -2.8571515296
H    2.3892531490  -2.0451766852  -2.5374070986
H    0.9578402883  -1.0317764867  -2.5855918642
H    4.7063591106  -0.8690555276   1.4800986358
H    0.8717286103   2.1446827061  -0.1735915372
H    1.3681962493   1.7077744222  -1.8002080899
H   -3.2032007450   0.1527811568   2.7523901103
H   -4.4871304041  -0.2154865464   1.5805406183
H   -3.7789498385   1.4090137168   1.6424980601
H   -1.8172680719   3.2390486023  -0.6290755917
H   -1.2366446619   4.7309688963  -1.3747669826
H   -0.4287493495   4.0957575025   0.0657938270
*