! 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   4.7324766728   3.4604019073   1.3491817151
O   -2.2431075124  -0.7263499210  -1.8239274329
N   -1.2655379141  -2.9514709859  -0.1783028238
N   -0.9836385121  -3.2037393641  -1.4610652486
N    0.4674086046  -4.2643195820  -0.1271383648
C   -2.1973072020  -0.6495797968  -0.4127350291
C   -3.3767128260   0.2692590612   0.0194894385
C   -0.9551346964   0.1507505339   0.0447858570
C   -2.8641781249   1.6517609750  -0.4137476597
C   -1.3381497882   1.6175607805  -0.2376422641
C   -2.3284523626  -2.0448252842   0.2056104475
C    0.3852925409  -0.2316237602  -0.5925590681
C   -3.5878111475   0.2562665589   1.5374342050
C   -4.7017851653  -0.0831165299  -0.6473125392
C    1.4907334045   0.6749926818  -0.1245426141
C   -0.3911093115  -3.5837594605   0.5993437106
C    1.9660609894   0.5944484062   1.1831589399
C    2.0482137362   1.6320809092  -0.9660255459
C    2.9593200770   1.4433702126   1.6448460549
C    3.0449034994   2.4919165540  -0.5245894832
C    0.0610680915  -3.9910516281  -1.3773452201
C    3.4900450286   2.3906003096   0.7822778534
H   -0.8523529903   0.0102829891   1.1253636296
H   -3.3368920877   2.4449384806   0.1678000048
H   -3.1227387820   1.8363479806  -1.4577361157
H   -0.8438113799   1.9749831569  -1.1427679407
H   -1.0013701806   2.2675173213   0.5697017846
H   -3.2811219294  -2.4942747633  -0.0809610538
H   -2.3034215146  -1.9916010932   1.2912948648
H    0.3120013826  -0.1760750124  -1.6804496587
H    0.6594639528  -1.2579501298  -0.3411187632
H   -3.9768810658  -0.6982452795   1.8963920196
H   -2.6839207534   0.4808840262   2.1053107631
H   -4.3259400091   1.0146857806   1.8035604579
H   -5.4696308999   0.6293008103  -0.3392383295
H   -4.6451507424  -0.0492930746  -1.7336581890
H   -5.0574747122  -1.0746676874  -0.3585071072
H   -1.6882698333  -1.4662884410  -2.1133180552
H   -0.4184037001  -3.5266385663   1.6758390456
H    1.5581621901  -0.1457659096   1.8614769419
H    1.7040085210   1.7131100609  -1.9896963190
H    3.3139210262   1.3643978206   2.6635113830
H    3.4646016676   3.2287752376  -1.1959005296
H    0.5440189306  -4.3831836654  -2.2582495378
*