! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.7730098361  -0.5220832094   1.5931186666
S   -1.8713429495  -1.2857447898  -0.3513991809
O   -1.6544406695  -1.4821321138  -1.7699532508
O   -2.5604568962  -2.2954997094   0.4185066830
O   -1.0089297526  -0.5052091845   2.3556154477
O    3.3134133429  -1.9436496510  -1.9616015287
O    5.7554950180  -0.9312993311   1.8529895413
N   -2.2835786648   1.4005117459  -0.6004236412
N   -1.2101600730   1.5846458284  -1.3546826468
N   -4.1050393567   1.8250386711   0.6002196010
N   -0.3491133028  -1.0326152120   0.2495842521
N    1.2046665230  -0.6679338758   1.9350940725
N    2.2388546992  -1.3269331206  -0.0399919236
N    3.4742043094  -0.7868809079   1.8968963603
C   -2.6928453901   0.2055059084  -0.0666954072
C   -0.9836242890   2.8108080905  -1.7325230204
C    0.2101672117   3.0649211298  -2.6013859204
C   -3.1629847464   2.3522902308  -0.1745098512
C    1.3267207318   2.0336331202  -2.5077499395
C   -1.8389603437   3.8910490587  -1.3719608867
C   -2.9311380987   3.6708814834  -0.5951391656
C   -3.8147708909   0.5302550726   0.6729321375
C    2.0243959339   2.0167574169  -1.1557641865
C   -0.1164921739  -0.7292874841   1.5649926338
C    2.3517463089  -0.9403517848   1.2191749014
C    3.3704085872  -1.5706903174  -0.6940522380
C    4.5930693001  -1.0495495575   1.2356320245
C    4.6118056292  -1.4499554376  -0.0956001738
C    2.0403333471  -2.0520521769  -2.5932004410
C    5.7786254023  -0.5368903393   3.2235126721
H   -0.1485219777   3.1327254451  -3.6335373857
H    0.6003245638   4.0573994315  -2.3626636981
H    2.0555105322   2.2666983918  -3.2862624836
H    0.9358261339   1.0424000846  -2.7448589206
H   -1.6011369498   4.8862173034  -1.7198442534
H   -3.6025015517   4.4609464070  -0.2919406953
H    2.4053186482   3.0072118713  -0.9000457303
H    1.3571370341   1.7029359917  -0.3525297705
H    2.8758143344   1.3354802368  -1.1637820513
H    1.3530568201  -0.4018042674   2.8996743162
H    5.5305364808  -1.6542068457  -0.6251717037
H    2.2431146517  -2.3634232264  -3.6137020402
H    1.5207463684  -1.0932578742  -2.6174733801
H    1.4126376119  -2.8025349135  -2.1127371418
H    5.3631228852   0.4604455128   3.3633014072
H    6.8272779607  -0.5289765709   3.5069481306
H    5.2428655288  -1.2440870112   3.8555292496
H    0.4642932443  -1.2075858555  -0.3574266529
*