! 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  -5.9210947467   1.7252180206  -2.1316156010
O    3.1138698242   1.5242132201  -0.1391028551
O    1.3912029168  -1.2533825083   2.3883077960
N    2.3140959605  -0.5135283010   0.4526030400
N    1.5499859611  -2.7228688803   0.6659943936
N    1.9259748628  -4.8080358115   0.0734736786
C    2.6121879338   0.8431711429   0.9912412038
C    2.6525606070  -0.5966074873  -0.9920131432
C    2.6559224573   0.8958269137  -1.3132339658
C    1.3766531638   1.5634401929   1.5503592326
C    3.7230906020   0.8045494077   2.0282428733
C    4.0426872445  -1.1835126974  -1.2127494931
C    1.6170476350  -1.2866135799  -1.8675607472
C    0.1197781862   1.5344205957   0.6912579161
C    1.7513032546  -1.4292672202   1.2408869161
C   -1.0770147368   2.1538376271   1.4160841987
C   -2.3162397231   2.0759582015   0.5721992661
C    0.3229438011  -3.2703786547   0.3856921773
C    2.4755943527  -3.6963429442   0.4754251030
C   -2.6702084961   3.1136952648  -0.2853479569
C   -3.1055906060   0.9281543946   0.5762664132
C    0.5826115703  -4.5501101541   0.0066098840
C   -3.7759307674   3.0167717091  -1.1179833663
C   -4.2143825064   0.8104553147  -0.2480787292
C   -4.5385138002   1.8604509457  -1.0925754957
H    3.3368159318   1.1347704073  -2.1305109118
H    1.6544954792   1.2372060273  -1.5971831349
H    1.6806973727   2.6020727043   1.7103486666
H    1.1487271774   1.1645650223   2.5378864859
H    4.6065254543   0.2987726911   1.6385222093
H    3.4074956572   0.2980238419   2.9371816133
H    4.0056876357   1.8220640483   2.3007406945
H    4.3063725671  -1.1055733476  -2.2679866120
H    4.0910901869  -2.2376535013  -0.9473828530
H    4.8036371196  -0.6536102802  -0.6396781350
H    0.5995397773  -1.0013395587  -1.5985113970
H    1.7806818538  -0.9665568070  -2.8980138977
H    1.6948364599  -2.3713826285  -1.8616357002
H    0.2770678854   2.0774403177  -0.2432079087
H   -0.1403716182   0.5083171470   0.4139799575
H   -0.8558679077   3.1946888636   1.6641490752
H   -1.2385479847   1.6305429320   2.3620801939
H   -0.5934690517  -2.7090788733   0.4579090342
H    3.5221386493  -3.5470276330   0.6871087936
H   -2.0753812121   4.0187332681  -0.3088004163
H   -2.8554831048   0.1058364154   1.2361030104
H   -0.1267879914  -5.2964791428  -0.3124154042
H   -4.0354149530   3.8348237590  -1.7760930008
H   -4.8148042912  -0.0888769845  -0.2285047815
*