%chk=000021261.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021261

0 1
 S  -0.6568000      -1.340200     -0.2265000    
 O   -3.912600      -2.478400       1.100900    
 O   -3.816300     -0.2232000       1.325000    
 N   -4.427100     -0.4493000      -1.545800    
 C   0.6791000     -0.2125000     -0.6814000    
 C   0.4497000       1.212100     -0.2041000    
 C    2.055600     -0.7482000     -0.3237000    
 C   -2.016500     -0.4937000      -1.094000    
 C   -3.363500      -1.177000     -0.8509000    
 C   0.2077000       2.199900      -1.138400    
 C    3.105500     -0.5298000      -1.194000    
 C   0.4891000       1.478700       1.150400    
 C    2.218300      -1.438100      0.8615000    
 C  -3.1000001E-03   3.507400     -0.7005000    
 C    4.369000      -1.021300     -0.8658000    
 C   0.2781000       2.786300       1.588100    
 C    3.481900      -1.929400       1.189600    
 C   -3.727400      -1.222600      0.6213000    
 C   3.2000002E-02   3.800500      0.6626000    
 C    4.557200      -1.721000      0.3259000    
 H   0.6448000     -0.2142000      -1.779900    
 H   -1.791200     -0.4779000      -2.166200    
 H   -2.080800      0.5394000     -0.7390000    
 H   -3.334000      -2.200800      -1.243700    
 H   0.1773000       1.984500      -2.202200    
 H    2.970400      1.6100001E-02  -2.123000    
 H   0.6664000      0.7072000       1.891800    
 H    1.415400      -1.601800       1.572500    
 H  -0.1952000       4.297100      -1.421000    
 H    5.206600     -0.8581000      -1.537800    
 H   0.3025000       3.014400       2.649700    
 H    3.630300      -2.469500       2.120200    
 H  -0.1331000       4.818300       1.003500    
 H    5.541300      -2.102300      0.5822000    
 H   -5.302400     -0.9662000      -1.467000    
 H   -4.214800     -0.4023000      -2.541700    
 H   -4.130300      -2.476400       2.057400    


%chk=000021261-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021261

0 1
S -0.521302 -1.379675 -0.458990
O -4.835101 -2.064993 0.964493
O -3.261177 -0.443853 1.491817
N -4.454354 -1.138470 -1.654796
C 0.739922 0.024218 -0.833460
C 0.455126 1.339054 -0.104491
C 2.117850 -0.567398 -0.543490
C -2.097318 -0.596561 -1.162291
C -3.302781 -1.477372 -0.790029
C 1.062648 2.518535 -0.612741
C 2.819901 -1.248390 -1.570815
C -0.351347 1.431751 1.055247
C 2.704814 -0.474443 0.743612
C 0.878403 3.761302 0.030137
C 4.085718 -1.821906 -1.321309
C -0.538267 2.677517 1.698610
C 3.969117 -1.051656 0.996136
C -3.740761 -1.237190 0.660622
C 0.075916 3.845031 1.192939
C 4.664526 -1.725953 -0.034165
H 0.654295 0.190021 -1.924031
H -1.998110 -0.543752 -2.260822
H -2.214466 0.417404 -0.750071
H -3.001598 -2.553199 -0.854197
H 1.691633 2.458346 -1.510175
H 2.366827 -1.333388 -2.566437
H -0.849687 0.534476 1.438860
H 2.174867 0.058651 1.540206
H 1.355574 4.661143 -0.374770
H 4.618255 -2.342147 -2.125490
H -1.173223 2.731731 2.590015
H 4.413020 -0.972794 1.995027
H -0.073221 4.809318 1.691952
H 5.647116 -2.169572 0.162551
H -5.324193 -1.608127 -1.385375
H -4.250725 -1.209832 -2.655696
H -5.134798 -1.890127 1.897417


