! 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  -5.1695965688  -0.2583610353   1.1009538233
S   -1.7116035343  -0.7581077064   1.8119191120
O   -2.6848771604  -1.7390368256   2.2276501370
O   -1.0118647681   0.0311712545   2.8057396164
O   -1.8080040083  -2.3370917027  -0.6914438637
O    4.6259203372  -1.6411221780  -2.7336113485
O    3.6405995943  -0.2163001825   1.5720911253
N   -1.8303863812   1.1527774029  -0.1464583518
N   -0.5149162248   1.2502544697  -0.2652107980
N   -4.0005102659   1.4600287360  -0.5235516488
N   -0.4915122604  -1.4678332609   0.9452513756
N    0.4161481165  -2.1928067484  -1.0648256890
N    2.5143856293  -1.9233893163  -1.9031332199
N    2.0296024608  -1.2144721528   0.2940495622
C   -2.5015123091   0.2820874999   0.6727581191
C   -0.0827031022   2.1088171414  -1.1484547899
C    1.4023364886   2.2212399610  -1.3059827012
C   -2.7727893457   1.8417685496  -0.8573183484
C    2.0800252278   2.8689414054  -0.0983039543
C   -0.9620718592   2.9116679587  -1.9247604866
C   -2.3090405950   2.7830594420  -1.7870158683
C   -3.8354597222   0.5133009048   0.3945076892
C    3.5817128992   2.9928199433  -0.2923124321
C   -0.7069480060  -2.0212025478  -0.2937955115
C    1.7098593957  -1.7504178319  -0.8713675429
C    3.7618715595  -1.5009499016  -1.7440461349
C    3.2790923530  -0.7818875273   0.4341153759
C    4.2185532874  -0.9033548866  -0.5745260596
C    4.1938967640  -2.2368759403  -3.9554429773
C    2.6749709472  -0.0753477428   2.6123615366
H    1.8216954442   1.2249812785  -1.4716054949
H    1.6201826126   2.8008299934  -2.2044583530
H    1.8656804545   2.2791518602   0.7958696304
H    1.6466471760   3.8571112522   0.0760198163
H   -0.5446210548   3.6146210288  -2.6309427844
H   -3.0135331863   3.3631070153  -2.3650283086
H    4.0607426831   3.4016489416   0.5978085310
H    4.0399589360   2.0235662459  -0.4994954618
H    3.8199053486   3.6517454681  -1.1292647826
H    0.2370280538  -2.6067535177  -1.9703297604
H    5.2352020186  -0.5571340191  -0.4611289134
H    5.0670198013  -2.2424862661  -4.6016383279
H    3.4025704729  -1.6561751342  -4.4279630324
H    3.8524366528  -3.2604080091  -3.8061550049
H    1.8423996392   0.5598665590   2.3086284563
H    3.1974049445   0.4041640975   3.4349368870
H    2.2977700367  -1.0417045416   2.9467829870
H    0.4664944618  -1.1276748708   1.1275407372
*