! 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  -5.9631988822  -0.8774440631  -1.8779092795
S    1.5013421546  -0.6339480034   1.8012175322
O    2.9050531239   2.3145091969  -0.6201598360
O    1.7049553288  -1.6011199282   2.8582906396
O    1.5520088695   0.7838339962   2.1070706068
O    0.9557620092   1.2340694340  -0.8203824893
O    0.2306025152  -3.0733807597   0.7282742350
O   -2.9420628113   2.3492225022   0.4476905032
N   -0.0113330512  -0.8551356025   1.1482791126
N   -1.6709588847  -2.0648889533   0.0580818430
N   -2.2823443321   0.1698151286   0.2673349900
N   -3.6666767386  -1.4091788526  -0.8101816979
C    2.6568778113  -0.9752400715   0.5006116510
C    2.9461446548  -0.0089071222  -0.4656338645
C    3.3543671563  -2.1716116476   0.5483171217
C    3.9585230680  -0.2645466435  -1.3793307546
C    4.3439804761  -2.4220913480  -0.3912280922
C    4.6477942891  -1.4693062196  -1.3480696734
C    2.1466042235   1.2409595769  -0.6317397595
C   -0.4325861533  -2.0599631598   0.6574435184
C    2.2686652188   3.5893214137  -0.8554758071
C   -2.5707965071  -1.0491752735  -0.1641784755
C    3.3400028820   4.6472250688  -0.8444431396
C   -3.1697663363   1.1222484756   0.0345929350
C   -4.3641191819   0.8675114510  -0.6432862800
C   -4.5317359748  -0.4380465990  -1.0321144840
C   -1.7303324522   2.6338540585   1.1507187272
H    3.1456658290  -2.9054031530   1.3126363823
H    4.2003630590   0.4693692013  -2.1360934905
H   -0.5853797783  -0.0252950871   0.9564436259
H    4.8824213966  -3.3587437148  -0.3603448448
H    5.4263981710  -1.6564652072  -2.0745089814
H   -1.9502070889  -2.9700246199  -0.2979425855
H    1.5312075047   3.7697879195  -0.0715124187
H    1.7505150027   3.5635236116  -1.8149110113
H    2.8750876233   5.6173402876  -1.0167642578
H    3.8559999135   4.6911245728   0.1144430410
H    4.0749367194   4.4856709974  -1.6328173685
H   -5.0895300057   1.6421172918  -0.8382592098
H   -0.8597290929   2.4732252903   0.5160602622
H   -1.6475154485   2.0398392684   2.0604117490
H   -1.7873498895   3.6849919859   1.4172573575
*