%chk=000039695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039695

0 1
 S   -2.397200       3.634500     -0.1269000    
 O    4.061600      0.7258000      0.2109000    
 O    1.321600      0.8242000       1.033300    
 O   0.6727000      0.8793000      -1.197900    
 N   6.1400000E-02   2.581600      0.2557000    
 C    5.293500      0.2295000     -0.3884000    
 C    5.349200      -1.306100     -0.2131000    
 C    3.938500      -1.576800      0.1443000    
 C    3.279700     -0.3845000      0.3911000    
 C    6.461300      0.9104000      0.3271000    
 C    5.284100      0.6287000      -1.869500    
 C   -4.321700      -2.116500     -0.3472000    
 C    3.289100      -2.789400      0.2898000    
 C    1.957300     -0.3490000      0.7903000    
 C   -3.850800     -0.7032000     -0.2798000    
 C   -4.827400      -2.721200       1.004600    
 C   -5.514500      -2.268900      -1.341600    
 C   -3.184000      -3.069700     -0.8282000    
 C    1.948800      -2.778300      0.6841000    
 C    1.287000      -1.565100      0.9337000    
 C   -3.881200     -1.4700000E-02  0.9331000    
 C   -3.380700     -6.9600001E-02  -1.429900    
 C   -3.441400       1.307500      0.9957000    
 C   -2.971000       1.942100     -0.1547000    
 C   -2.940800       1.252700      -1.367400    
 C   -3.494100       2.003200       2.318100    
 C   0.6790000       1.394900     -8.3999999E-02
 C  -0.6804000       3.398700     -0.6833000    
 H    6.003000      -1.604600      0.6137000    
 H    5.660200      -1.824500      -1.125000    
 H    7.425400      0.5820000     -7.4400000E-02
 H    6.395900       2.000200      0.2309000    
 H    6.438800      0.6946000       1.401300    
 H    6.202200      0.3133000      -2.375800    
 H    4.429900      0.1842000      -2.392700    
 H    5.181400       1.714500      -1.978400    
 H    3.802800      -3.727300      0.1086000    
 H   -5.684200      -2.162900       1.399600    
 H   -4.035300      -2.729900       1.762500    
 H   -5.155700      -3.759600      0.8739000    
 H   -6.350800      -1.623600      -1.047800    
 H   -5.880200      -3.301800      -1.370400    
 H   -5.231600      -1.997800      -2.364600    
 H   -2.316800      -3.009000     -0.1598000    
 H   -2.840200      -2.819700      -1.838000    
 H   -3.519900      -4.112800     -0.8501000    
 H    1.413600      -3.716400      0.8040000    
 H   0.2446000      -1.581600       1.242300    
 H   -4.240200     -0.4768000       1.846200    
 H   -3.347900     -0.5813000      -2.387400    
 H   -2.590500       1.725200      -2.281600    
 H   -2.491200       2.311100       2.632400    
 H   -3.889600       1.354700       3.107800    
 H   -4.149000       2.879500       2.268200    
 H  -0.1929000       4.377700     -0.7076000    
 H  -0.6425000       2.975800      -1.690900    
 H   0.1345000       2.904100       1.215400    


%chk=000039695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039695

0 1
S -1.970459 3.188981 1.075259
O 4.303129 0.731977 -0.138321
O 1.980429 0.386216 1.661177
O 1.168310 0.644690 -0.559283
N 0.678273 2.170595 1.166920
C 5.371341 0.409231 -1.199772
C 5.909529 -1.004398 -0.787588
C 4.813405 -1.552823 0.115336
C 3.944684 -0.485516 0.440853
C 6.409631 1.529912 -1.112924
C 4.630063 0.375237 -2.547214
C -4.974033 -2.051349 -0.556802
C 4.600525 -2.831562 0.656999
C 2.838239 -0.687546 1.286665
C -4.230771 -0.758286 -0.145688
C -6.417598 -2.110334 0.005656
C -5.055468 -2.127809 -2.111557
C -4.190798 -3.288642 -0.022537
C 3.497307 -3.034033 1.527307
C 2.620722 -1.967610 1.836435
C -4.817702 0.247664 0.660574
C -2.897047 -0.538874 -0.579263
C -4.133845 1.431463 1.036460
C -2.798942 1.612001 0.577485
C -2.185794 0.625854 -0.227195
C -4.822129 2.472820 1.900089
C 1.259807 1.044788 0.622809
C -0.194502 3.043388 0.408692
H 6.867306 -0.917452 -0.238681
H 6.086193 -1.633125 -1.678120
H 7.216977 1.359692 -1.848616
H 5.944254 2.507145 -1.328825
H 6.856026 1.572344 -0.104508
H 5.340381 0.182372 -3.372772
H 3.861490 -0.417204 -2.547995
H 4.125611 1.338799 -2.730527
H 5.273886 -3.661224 0.415546
H -7.034057 -1.268851 -0.361491
H -6.427886 -2.093947 1.111367
H -6.903526 -3.048522 -0.319953
H -5.620446 -1.268463 -2.517136
H -5.566707 -3.058582 -2.422985
H -4.052196 -2.120268 -2.573720
H -4.124844 -3.264933 1.080728
H -3.161097 -3.321253 -0.421097
H -4.701187 -4.224085 -0.321065
H 3.313601 -4.023188 1.958590
H 1.759178 -2.114359 2.495321
H -5.845096 0.126940 1.020166
H -2.388421 -1.283216 -1.202620
H -1.157904 0.733311 -0.586906
H -4.257032 2.661955 2.833263
H -5.839783 2.148435 2.175839
H -4.904102 3.444772 1.375861
H 0.147359 4.090660 0.462667
H -0.205553 2.715768 -0.641166
H 0.834666 2.347842 2.160464


