! 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   4.0101733645   3.6805160589   1.1449041857
O   -0.6922253857  -0.6012833520   1.1787473482
N   -1.4230825331  -2.9366843344  -0.3129254332
N   -1.3678728943  -3.3387434808  -1.5861368222
N    0.1666805776  -4.4209859438  -0.3585906900
C   -1.6614239089  -0.4983030072   0.1528079623
C   -2.7305500608   0.5833164580   0.5348582830
C   -1.0194245788  -0.1860566614  -1.2245967975
C   -2.3161423952  -1.8871220591   0.1274382295
C   -3.4976652834   0.1802519115   1.7993073142
C   -2.0341893577   1.9193899160   0.8232784131
C   -3.7421364942   0.7973530192  -0.5951688681
C    0.4741323986  -0.5063305797  -1.3734908126
C    1.3749978137   0.5248989664  -0.7424761632
C   -0.5008583145  -3.5818456974   0.3990303776
C    2.2269103472   0.2103587824   0.3132876100
C    1.3710403556   1.8400344012  -1.2076723724
C   -0.4034194841  -4.2228374282  -1.5606643789
C    3.0412430129   1.1710889915   0.8988518257
C    2.1765890836   2.8129601502  -0.6390161717
C    3.0051813476   2.4685627554   0.4182409921
H   -1.1526316232   0.8680430359  -1.4714937580
H   -1.5712669424  -0.7202545139  -1.9994745226
H   -2.6635465245  -2.1610436062   1.1224786510
H   -3.1771752974  -1.9049355605  -0.5363016812
H   -4.1092686890   1.0163406412   2.1421851925
H   -2.8282467467  -0.0878021384   2.6171799241
H   -4.1781690018  -0.6555481795   1.6306166186
H   -1.4178113381   2.2732136253  -0.0053066770
H   -1.4054225206   1.8790517748   1.7146163343
H   -2.7837484329   2.6901792679   1.0086755811
H   -4.4912035516   1.5270465417  -0.2819301531
H   -3.2835127162   1.1841065572  -1.5055240388
H   -4.2807546640  -0.1146789422  -0.8573299702
H    0.6917546876  -0.5420959351  -2.4434986686
H    0.7216300439  -1.4932597245  -0.9828797860
H   -0.1480696440   0.1926401769   1.1936428386
H   -0.3628169216  -3.4321594838   1.4572410292
H    2.2623661710  -0.8029079080   0.6942478467
H    0.7295739383   2.1186528694  -2.0354436169
H   -0.1077493738  -4.7575879608  -2.4497519804
H    3.6902022222   0.9041690657   1.7218670949
H    2.1564788131   3.8256221300  -1.0184039662
*