! 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  -0.3426390138  -1.0469111553   2.2055267214
Cl   0.5832321701  -5.2703223992  -0.9043292447
O   -0.7498952100   1.1821392702   0.2678856857
O    0.5534276067   1.3478029117  -1.5255921210
N    1.6328556518   2.6749053009   0.7024254628
N    2.3436809022   3.4469023258  -0.1264298876
N    1.1007267012   4.7093052857   1.2526785563
C    0.4589483844   0.7456987506  -0.2698044940
C   -1.6687300660   1.3985076601  -0.8017581174
C   -0.7628932205   1.4562436508  -2.0425886165
C   -2.7246468066   0.3112124258  -0.9004400640
C    1.6226711803   1.2411787405   0.5911350905
C    0.5051732359  -0.7795323535  -0.3860991552
C   -3.5905488297   0.1289037017   0.3410012931
C    0.1420509629  -1.6391877124   0.6494529525
C    0.9303728087  -1.3644835180  -1.5747700574
C   -4.4105884825   1.3556706756   0.7169041179
C    0.1627994482  -3.0172839216   0.5007623945
C    0.9627266586  -2.7375232136  -1.7527173284
C    0.8930453297   3.4403123217   1.5044914441
C    0.5675560544  -3.5537162687  -0.7089340768
C    1.9946337400   4.6489789842   0.2474062493
H   -2.1411427442   2.3667970612  -0.6215282016
H   -0.9799698409   0.6384883715  -2.7381496437
H   -0.8450015931   2.3975655784  -2.5845395318
H   -2.2451255677  -0.6391757141  -1.1543454518
H   -3.3623891824   0.5657484714  -1.7538558525
H    2.5673367722   0.9234978623   0.1541603872
H    1.5652374340   0.8126559233   1.5897071433
H   -2.9650272510  -0.1690682592   1.1848290041
H   -4.2667380118  -0.7096260866   0.1577400994
H    1.2432071982  -0.7369224913  -2.3970277997
H   -5.1008384507   1.1273227262   1.5297757694
H   -3.7860096758   2.1848823805   1.0521089209
H   -5.0049031077   1.7108607977  -0.1273009768
H   -0.1328491703  -3.6586341853   1.3189887305
H    1.2905590339  -3.1540214175  -2.6945256039
H    0.2393733432   3.0408997876   2.2628379605
H    2.4109499678   5.5248238734  -0.2250129590
*
