! 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
Cl  -3.4744905070   2.9290056822  -3.3199673841
O    1.5475572323   1.2904194584   0.3253919472
O    2.3388700442  -2.8164179464  -1.1113078174
N    1.5803464820  -0.8937677636  -0.1802337955
N    1.9296158830  -2.8209771080   1.1217599209
N    1.1555659565  -4.0136417411   2.8013218603
C    1.3617170444   0.0499681336   0.9601105029
C    1.4900222246  -0.1675806259  -1.4718396495
C    1.0006485679   1.1908475820  -0.9657803533
C   -0.0738608655  -0.0714167989   1.4899943535
C    2.3977327486  -0.0345334149   2.0657466395
C    2.8590216829  -0.0079130332  -2.1302613455
C    0.4761587365  -0.7794725984  -2.4264669639
C   -0.5194595629   1.0977964722   2.3681926440
C    1.9693954873  -2.1706967088  -0.1540405068
C   -2.0358469452   1.3223407660   2.3038320667
C   -2.4695571564   1.7375668479   0.9252469757
C    3.0256755316  -3.3279662179   1.7744047816
C    0.8299590359  -3.2864247995   1.7722125038
C   -2.1631966792   3.0096181456   0.4445537289
C   -3.1079131807   0.8501685239   0.0638747160
C    2.5233768686  -4.0390786267   2.8197285356
C   -2.4723001660   3.3862139086  -0.8525692418
C   -3.4211484918   1.2050884096  -1.2413765413
C   -3.0953574699   2.4732835751  -1.6899147129
H    1.3715002697   2.0179013126  -1.5710554795
H   -0.0954892063   1.2514189751  -0.9517103185
H   -0.1715170151  -0.9957644793   2.0583563790
H   -0.7484082408  -0.1795064823   0.6375560226
H    3.4099822459  -0.1037112052   1.6667138393
H    2.2257365119  -0.8696951393   2.7396492634
H    2.3418614305   0.8738717349   2.6669536484
H    3.2876076409  -0.9612112907  -2.4298541587
H    3.5635733696   0.4935524482  -1.4650090651
H    2.7578446489   0.6048223778  -3.0274828946
H   -0.4770006842  -0.9661856724  -1.9289150006
H    0.2883602164  -0.0808143616  -3.2438667063
H    0.8254893028  -1.7116686940  -2.8652089833
H   -0.2292857626   0.9213511038   3.4064025134
H   -0.0238117588   2.0214469295   2.0631694088
H   -2.3086062123   2.0934402464   3.0282590283
H   -2.5619227347   0.4123355701   2.6032048598
H    4.0338267178  -3.1199257288   1.4571918069
H   -0.1718760711  -3.0904994889   1.4235971716
H   -1.6694742002   3.7258491918   1.0910125367
H   -3.3632817303  -0.1447983613   0.4089094306
H    3.0737756291  -4.5658828971   3.5834626183
H   -2.2262851605   4.3791522753  -1.2046670698
H   -3.9104666926   0.4957551773  -1.8952884497
*