! 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   4.6418441540  -4.8057864216   0.3496844397
O   -0.6790481571   1.7559355024  -1.7013080905
N   -1.5277821241   3.3663080016   0.6374359460
N   -1.7771449790   4.0298771496  -0.4965980684
N   -2.8842542995   4.9682133066   1.2071544317
C   -0.9708630175   1.1920525580  -0.4335690602
C   -2.4206677796   0.6476949289  -0.4559147020
C   -0.0873141373  -0.0604631129  -0.2960448569
C   -2.2689948046  -0.6213412218  -1.3099033020
C   -0.8575465859  -1.1697021833  -1.0370360417
C   -3.1309975429   0.4133057360   0.8933587187
C   -0.6616593288   2.2010973486   0.6720516329
C    1.3551134706   0.1171515327  -0.7782810346
C   -2.5930333351  -0.7298641025   1.7491947761
C   -4.6247104202   0.2070338059   0.6472394607
C    2.1867824238  -1.1049396668  -0.5029718393
C   -2.1959070631   3.9346441728   1.6369733938
C    2.6497782789  -1.3786022883   0.7828980689
C    2.4997919595  -2.0064230531  -1.5161619973
C    3.4022449597  -2.5104848478   1.0551635635
C    3.2498333756  -3.1472447065  -1.2652344602
C   -2.5939804678   4.9755894232  -0.1033798532
C    3.6958047416  -3.3885546333   0.0229985184
H   -3.0399452398   1.3796252659  -0.9856427021
H   -0.0431201851  -0.3118982588   0.7667825644
H   -2.3728660273  -0.3673653817  -2.3649052929
H   -3.0438701646  -1.3594878196  -1.0979785490
H   -0.8897323987  -2.0784467318  -0.4350261943
H   -0.3593320006  -1.4380336183  -1.9709005837
H   -3.0442230617   1.3304663092   1.4841594565
H    0.3741372793   2.5369576070   0.5917453559
H   -0.7776778084   1.7519503854   1.6570799752
H    1.8124815893   0.9778243238  -0.2820487555
H    1.3670078859   0.3253719436  -1.8485421587
H   -1.1677137607   2.5906651528  -1.7668153399
H   -1.5641232547  -0.5771071095   2.0758774133
H   -2.6402521277  -1.6888358969   1.2291697444
H   -3.1950736361  -0.8283757793   2.6542538736
H   -4.8228962162  -0.7078028072   0.0847569414
H   -5.0564016530   1.0385981632   0.0872090729
H   -5.1671689736   0.1298936373   1.5909111460
H   -2.1466821269   3.5768187637   2.6534015552
H    2.4280514506  -0.6934670656   1.5926534177
H    2.1596145602  -1.8187693795  -2.5272073484
H    3.7571938222  -2.7003474553   2.0590114347
H    3.4828356783  -3.8323864571  -2.0690334056
H   -2.9936801155   5.6983383163  -0.7969144888
*