%chk=000106669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106669

0 1
 S    4.963800     -0.4424000      0.5012000    
 O    3.491300     -0.8977000     -4.8200000E-02
 O    5.969400      -1.179600     -0.2437000    
 O    4.945000     -0.5173000       1.951600    
 N    5.066100       1.228400      4.4900000E-02
 C   -3.225300      -1.079500     -0.3736000    
 C   -1.838700     -0.8567000      0.2349000    
 C   -4.302100     -0.1638000      0.2188000    
 C  -0.7604000      -1.763800     -0.3667000    
 C   -5.731300     -0.3969000     -0.2840000    
 C   0.6315000      -1.525000      0.2239000    
 C   -6.749600      0.5861000      0.2991000    
 C    1.674300      -2.436600     -0.4316000    
 C   -8.160600      0.4084000     -0.2710000    
 C    3.065600      -2.237100      0.1572000    
 C   -9.175200       1.406100      0.2891000    
 C   -10.57190       1.137900     -0.2511000    
 C    5.299800       1.497800      -1.398500    
 C    4.024500       2.125100      0.6116000    
 C    6.788200       1.591300      -1.667000    
 C    4.595600       3.515500      0.8030000    
 H   -3.178400     -0.9206000      -1.457800    
 H   -3.521000      -2.124400     -0.2191000    
 H   -1.887400      -1.025800       1.317600    
 H   -1.547900      0.1911000      9.0700001E-02
 H   -4.021800      0.8775000      1.5400000E-02
 H   -4.297800     -0.2762000       1.310600    
 H  -0.7245000      -1.603000      -1.451400    
 H   -1.045700      -2.811600     -0.2109000    
 H   -5.737600     -0.3145000      -1.377800    
 H   -6.036000      -1.422300     -4.2199999E-02
 H   0.9091000     -0.4739000      8.1100002E-02
 H   0.6071000      -1.709800       1.304500    
 H   -6.413500       1.611400      0.1010000    
 H   -6.781200      0.4685000       1.389300    
 H    1.705600      -2.219500      -1.506300    
 H    1.379900      -3.485600     -0.3131000    
 H   -8.123000      0.5084000      -1.363000    
 H   -8.501100     -0.6129000     -5.9200000E-02
 H    3.057900      -2.457100       1.230400    
 H    3.770700      -2.917900     -0.3319000    
 H   -9.194500       1.340700       1.383100    
 H   -8.873500       2.427200      2.9500000E-02
 H   -10.59280       1.221300      -1.342400    
 H   -11.28190       1.862800      0.1590000    
 H   -10.91350      0.1349000      2.4100000E-02
 H    4.814800       2.423300      -1.725200    
 H    4.855400      0.7003000      -2.005200    
 H    3.699500       1.752100       1.588500    
 H    3.144900       2.149800     -4.1000001E-02
 H    6.969000       1.805300      -2.725100    
 H    7.312400      0.6645000      -1.418600    
 H    7.239900       2.395400      -1.076200    
 H    5.489000       3.487500       1.436100    
 H    4.875000       3.986300     -0.1440000    
 H    3.857200       4.162000       1.288000    


%chk=000106669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106669

0 1
S 5.046794 -0.387919 0.772413
O 3.428604 -0.801881 -0.119535
O 6.179610 -1.413771 0.251145
O 4.738835 -0.228275 2.348075
N 5.372667 1.242519 0.065078
C -3.386788 -0.943181 -0.427551
C -1.993993 -0.795007 0.225356
C -4.493037 -0.146534 0.300325
C -0.892203 -1.606432 -0.492940
C -5.886231 -0.299024 -0.350974
C 0.497479 -1.460081 0.165669
C -6.995769 0.489523 0.380949
C 1.583248 -2.301413 -0.539536
C -8.388646 0.335047 -0.270721
C 2.971804 -2.197472 0.110375
C -9.499689 1.121022 0.462587
C -10.886826 0.961687 -0.196990
C 5.769582 1.196533 -1.377195
C 4.418039 2.293272 0.517913
C 7.261129 1.528352 -1.556513
C 5.118265 3.665055 0.530016
H -3.333067 -0.612565 -1.486085
H -3.666429 -2.017461 -0.452067
H -2.051446 -1.116287 1.286418
H -1.708108 0.277553 0.241329
H -4.215690 0.928293 0.324715
H -4.545777 -0.477181 1.358852
H -0.832755 -1.284712 -1.553914
H -1.181566 -2.678644 -0.509383
H -5.835270 0.036194 -1.408202
H -6.160448 -1.374574 -0.379801
H 0.804021 -0.396435 0.164108
H 0.432699 -1.766916 1.230481
H -6.722666 1.565386 0.410076
H -7.046936 0.153947 1.438065
H 1.663388 -2.007355 -1.604385
H 1.295590 -3.373629 -0.525458
H -8.339550 0.672546 -1.327360
H -8.662286 -0.740639 -0.301419
H 2.909841 -2.396766 1.199069
H 3.689570 -2.898164 -0.356867
H -9.548948 0.782523 1.517792
H -9.225181 2.195420 0.493907
H -10.870680 1.320567 -1.243565
H -11.662787 1.533605 0.344625
H -11.198392 -0.099975 -0.212514
H 5.125660 1.912979 -1.923472
H 5.556753 0.194117 -1.792623
H 4.096096 2.030342 1.541058
H 3.519593 2.316502 -0.133791
H 7.524814 1.524946 -2.630933
H 7.880894 0.775921 -1.040678
H 7.500302 2.521045 -1.138533
H 5.993653 3.647426 1.200535
H 5.455947 3.961039 -0.479074
H 4.410589 4.434334 0.889548


