%chk=000074719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074719

0 1
 S    5.116700      0.4118000     -0.5980000    
 S    5.991400      -1.352600      0.1156000    
 O    7.519300      -1.297900     -0.4499000    
 O    6.047000      -1.255300       1.561600    
 O    5.316600      -2.462700     -0.5289000    
 N    1.261400       1.416600      0.1694000    
 C   -3.232400       1.253500      0.3173000    
 C   -3.999000      3.4800000E-02 -0.2018000    
 C   -1.791500       1.261900     -0.1978000    
 C   -5.449800      4.0500000E-02  0.2858000    
 C  -0.9785000       2.467600      0.2884000    
 C   -6.205000      -1.195600     -0.2079000    
 C   0.4518000       2.554300     -0.2485000    
 C   -7.669900      -1.227200      0.2328000    
 C    2.613400       1.517600     -0.3620000    
 C   -8.418000      -2.466500     -0.2336000    
 C    3.426500      0.2993000      5.7599999E-02
 H   -3.230000       1.249200       1.413900    
 H   -3.739600       2.171800     -2.2000000E-03
 H   -3.981600      2.7899999E-02  -1.298500    
 H   -3.500500     -0.8821000      0.1355000    
 H   -1.295400      0.3361000      0.1177000    
 H   -1.800100       1.258800      -1.294900    
 H   -5.954900      0.9461000     -7.1099997E-02
 H   -5.471800      6.7800000E-02   1.381900    
 H  -0.9535000       2.462900       1.385900    
 H   -1.505800       3.385300     -2.0000001E-03
 H   -5.700500      -2.097600      0.1602000    
 H   -6.161200      -1.233800      -1.303500    
 H   0.9010000       3.487700      0.1122000    
 H   0.4121000       2.607400      -1.343300    
 H   -7.720600      -1.175800       1.326900    
 H   -8.183500     -0.3377000     -0.1510000    
 H    1.289800       1.367900       1.187400    
 H    3.092000       2.432700      9.2000002E-03
 H    2.576100       1.573100      -1.457200    
 H   -8.420300      -2.532500      -1.326100    
 H   -7.954600      -3.374800      0.1644000    
 H   -9.457000      -2.435200      0.1088000    
 H    3.480800      0.2286000       1.149400    
 H    2.965300     -0.6200000     -0.3195000    
 H    7.604300      -1.236200      -1.430300    


%chk=000074719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074719

0 1
S 4.829947 -0.276748 1.434145
S 4.259940 -1.626706 -0.566567
O 4.679716 -0.307131 -1.835136
O 5.229781 -2.893230 -0.824165
O 2.651828 -1.838986 -0.609634
N 1.434130 2.001546 0.727686
C -2.908771 1.365853 -0.113235
C -3.566357 -0.022120 -0.284664
C -1.387930 1.349954 -0.384101
C -5.079732 -0.029249 0.028806
C -0.731540 2.742776 -0.261761
C -5.734866 -1.416049 -0.160143
C 0.806175 2.708773 -0.402836
C -7.245057 -1.431664 0.170154
C 2.840321 1.597255 0.632101
C -7.890486 -2.820556 -0.026350
C 3.084308 0.398263 1.570959
H -3.094188 1.733374 0.918335
H -3.402078 2.091289 -0.794336
H -3.405190 -0.376576 -1.324157
H -3.052670 -0.753315 0.373778
H -0.888496 0.653618 0.317545
H -1.199507 0.950354 -1.402336
H -5.593722 0.710155 -0.620915
H -5.239308 0.311677 1.073478
H -0.999510 3.198934 0.715652
H -1.139247 3.420493 -1.038394
H -5.213624 -2.158483 0.480000
H -5.586461 -1.752342 -1.207745
H 1.194515 3.751120 -0.508292
H 1.083533 2.170471 -1.330113
H -7.391802 -1.099191 1.218369
H -7.765015 -0.687165 -0.467091
H 1.148461 2.355379 1.648727
H 3.566859 2.407871 0.878386
H 3.042387 1.290998 -0.410203
H -7.787996 -3.160106 -1.074350
H -7.405357 -3.577153 0.619026
H -8.968173 -2.806497 0.220554
H 2.980642 0.685330 2.635213
H 2.368788 -0.420257 1.361718
H 4.766253 -0.764259 -2.724209


