%chk=000052184.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052184

0 1
 S   -2.102000     -5.4400001E-02  0.6117000    
 O  -1.2000000E-02  -2.308800     -0.4412000    
 O   7.5499997E-02   2.379500     -0.1905000    
 O    3.552700     -0.1247000       1.450700    
 N    1.812200      -1.211600      0.4139000    
 N    1.855600       1.130300      0.5398000    
 C   0.1816000      6.3900001E-02 -0.9026000    
 C   -1.348900      9.8999999E-02  -1.023700    
 C   0.8046000      0.1277000      -2.308700    
 C   0.6138000      -1.260900     -0.2823000    
 C   0.6614000       1.298100     -0.1452000    
 C    2.489900     -7.1800001E-02  0.8295000    
 C   -3.840200      2.1199999E-02  0.1177000    
 C   -4.744100     -8.7399997E-02   1.331000    
 H   -1.707700     -0.7260000      -1.650000    
 H   -1.686700       1.034500      -1.483800    
 H   0.4891000     -0.7237000      -2.922900    
 H   0.5147000       1.047200      -2.830400    
 H    1.900000      0.1095000      -2.265700    
 H    2.195600      -2.101000      0.7216000    
 H    2.270900       1.966900      0.9401000    
 H   -4.029300      0.9687000     -0.3967000    
 H   -4.055600     -0.7987000     -0.5745000    
 H   -4.597900      -1.036400       1.858000    
 H   -4.571600      0.7329000       2.036100    
 H   -5.793000     -4.0500000E-02   1.019700    


%chk=000052184-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052184

0 1
S -2.215070 -1.100850 0.153248
O 1.001496 -2.468461 -1.206446
O -0.640138 2.059346 -0.518689
O 2.453527 0.133902 2.360586
N 1.714084 -1.131425 0.539809
N 0.955236 1.088896 0.842857
C 0.148826 -0.168850 -1.180291
C -1.303538 -0.648293 -1.448778
C 0.811870 0.263925 -2.531563
C 0.964849 -1.353186 -0.627613
C 0.096243 1.069090 -0.266796
C 1.756513 0.035892 1.321758
C -3.435379 0.361382 0.273820
C -4.197435 0.259139 1.601788
H -1.281495 -1.547375 -2.083520
H -1.871182 0.155912 -1.943012
H 0.818535 -0.594295 -3.224185
H 0.233829 1.093359 -2.972278
H 1.853161 0.601600 -2.382568
H 2.273530 -1.917113 0.888409
H 0.951511 1.936331 1.420339
H -2.850086 1.292601 0.202738
H -4.119416 0.290527 -0.589105
H -4.756330 -0.690842 1.675564
H -3.510500 0.323478 2.464133
H -4.924042 1.088813 1.681398


