! 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 "WATER"
end
*xyz 0 1
Cl   4.8496937317   4.5506473870  -0.6176494961
O   -1.2176366389  -1.0863134731   1.6765981592
N   -1.8600874044  -3.1456034484  -0.3415140206
N   -1.9665366989  -3.6796538508   0.8789467860
N   -3.2232956584  -4.8232454623  -0.5773426474
C   -1.3728895121  -0.7471666556   0.3117339943
C   -2.8074385391  -0.1437054936   0.0691429777
C   -0.2802350562   0.2953339728  -0.0043208397
C   -1.0510556509  -1.9691840459  -0.5769644038
C   -2.9793168378   1.1501509873   0.8785036120
C   -3.0458170438   0.1803613739  -1.4077162778
C   -3.9274184029  -1.0871457904   0.5347531552
C    1.1517690497  -0.0987863199   0.3777770936
C    2.0947529460   1.0464146310   0.1362633432
C   -2.6141893193  -3.8341051534  -1.1935151834
C    2.1792335671   2.1004736716   1.0438669283
C    2.8802053918   1.1048417306  -1.0109068136
C   -2.7972791523  -4.6749741874   0.6872657710
C    3.0198394469   3.1799651443   0.8217286062
C    3.7301229738   2.1753870266  -1.2518803793
C    3.7908559269   3.2068886086  -0.3300616191
H   -0.5120072924   1.2204314627   0.5239716362
H   -0.3067745304   0.5400820481  -1.0685847832
H   -1.1474116091  -1.7170560441  -1.6302837700
H   -0.0147664502  -2.2630374571  -0.4183182290
H   -2.7653824651   1.0002213321   1.9377046899
H   -4.0141751069   1.4909496871   0.8016360395
H   -2.3560395039   1.9700015800   0.5200042815
H   -2.3047668446   0.8712782774  -1.8112287114
H   -4.0215228566   0.6551153727  -1.5267514838
H   -3.0535462687  -0.7090755345  -2.0406449812
H   -4.8812427321  -0.5593617497   0.4726535144
H   -4.0374476402  -1.9766027449  -0.0832745915
H   -3.8112291486  -1.3981457372   1.5732907204
H    1.4961305091  -0.9601346722  -0.1967712106
H    1.1882402166  -0.3841167768   1.4296459676
H   -1.5829563684  -1.9713527534   1.8258611085
H   -2.6853145524  -3.5935728003  -2.2425866988
H    1.5821926283   2.0820170319   1.9478086301
H    2.8373272596   0.2992005122  -1.7337113006
H   -3.0974310046  -5.3218237252   1.4961122319
H    3.0730203600   3.9857948061   1.5409167069
H    4.3362971014   2.1983162340  -2.1471501171
*
