! 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  -6.3197769168   1.8110504877  -1.8092452019
O    2.9158432171   1.6564572013  -0.0946809199
O    1.9119992294  -1.4912491260   2.3793647523
N    2.4374575562  -0.4832918472   0.4154881284
N    1.8054968349  -2.7424817480   0.4871766039
N    0.6487202572  -4.2982963956  -0.5545001156
C    2.5771836463   0.8717043824   1.0216008100
C    2.9784546959  -0.4975130568  -0.9702776448
C    3.6936841146   0.8572554255  -0.9483436284
C    1.2713941100   1.4121520322   1.5984849683
C    3.6986601756   0.9250885844   2.0564601737
C    3.9866119996  -1.6059723182  -1.2382261920
C    1.8884205932  -0.4835238299  -2.0362900606
C    0.0687997079   1.3467393407   0.6678710444
C    2.0654380860  -1.5161344476   1.1765655593
C   -1.1619186868   1.9612045623   1.3194130539
C   -2.4311094237   1.9001925827   0.5081133809
C    2.4608202459  -3.9282125996   0.7116455445
C    0.7079157109  -3.0320774267  -0.2624856519
C   -3.6413091173   2.2452512624   1.1116222788
C   -2.4607113745   1.5245249674  -0.8311084650
C    1.7438177174  -4.8669974546   0.0372874099
C   -4.8363285213   2.2227635852   0.4131279658
C   -3.6493056461   1.4944247103  -1.5502122344
C   -4.8300088364   1.8452752952  -0.9216172194
H    4.7235678152   0.7539839861  -0.5830434872
H    3.7328423346   1.3206484594  -1.9340967000
H    1.4630094794   2.4535369554   1.8756464409
H    1.0504148856   0.8920188734   2.5313301572
H    4.6366396031   0.5303815874   1.6634814845
H    3.4531880595   0.3654049148   2.9548465502
H    3.8666036632   1.9633372989   2.3456885160
H    3.5218081354  -2.5684083847  -1.4432788883
H    4.6895690938  -1.7257406794  -0.4127805902
H    4.5666620344  -1.3426138858  -2.1249374340
H    1.3423668278  -1.4228359183  -2.0869655724
H    1.1728168184   0.3232528787  -1.8788652911
H    2.3453156363  -0.3329089825  -3.0155126477
H    0.2958093568   1.8699111062  -0.2636344589
H   -0.1470693763   0.3073121103   0.4044840438
H   -0.9551499988   3.0090863467   1.5616367611
H   -1.3435886033   1.4711352927   2.2808684999
H    3.3673156490  -3.9865972091   1.2904190917
H   -0.0221823054  -2.2837397345  -0.5292988912
H   -3.6543439654   2.5387844231   2.1548760794
H   -1.5511959691   1.2458777600  -1.3468472042
H    1.9585478772  -5.9202661896  -0.0533187834
H   -5.7600790978   2.4945282416   0.9061665829
H   -3.6439430512   1.1981680559  -2.5906638571
*