! 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  -3.8767742618   0.2038487027  -0.9671199287
O    1.2408594787   0.2754437126   1.8792291024
O    1.4392257645  -0.7091334903  -2.6152068986
O    2.8704094970   0.8560928787  -1.9273365209
C    3.2141546787  -0.4264601270   0.6197629565
C    2.4760956296   0.7049292629   1.3137071399
C    2.5024562907  -1.0855695809  -0.5520850356
C    0.0931109843   0.3018208166   1.1643261695
C   -0.9329853254  -0.5290123126   1.6424299526
C   -0.1211131698   1.0998324768   0.0463017340
C   -2.1483786726  -0.5383638755   0.9745637156
C   -0.7128001295  -1.3924576888   2.8462379294
C   -1.3404164821   1.0717643811  -0.6174242271
C    2.3018384373  -0.1954054317  -1.7432697463
C   -2.3466642218   0.2518473599  -0.1486340865
H    3.4344970270  -1.2017562075   1.3560673151
H    4.1801569472  -0.0326625376   0.2972566553
H    2.3444991577   1.5685332027   0.6615122614
H    3.0746446147   1.0463112435   2.1581442178
H    1.5461148736  -1.5208615890  -0.2556645527
H    3.1016835081  -1.9351337091  -0.8965205402
H    0.6408583453   1.7662617755  -0.3314609451
H   -2.9437519607  -1.1782476635   1.3346225834
H   -1.5948544216  -1.9951866398   3.0558339498
H    0.1285974297  -2.0727652567   2.7057506955
H   -0.4987635479  -0.8002380366   3.7372213958
H   -1.4878466268   1.6948913916  -1.4885785022
H    1.3562418053  -0.1226062613  -3.3828060258
*
