%chk=000052932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052932

0 1
 S   -1.618400       1.051900      0.8049000    
 O   -2.402300     -0.1463000       1.041900    
 O   -1.531700       2.064700       1.840800    
 O    3.923800     -0.5834000     -0.3919000    
 O   -1.040100      -2.471400      0.7159000    
 O   -1.393300      -1.750100      -1.441300    
 N   -2.121700       1.783800     -0.6733000    
 C   3.4800000E-02  0.5342000      0.4367000    
 C   0.2804000     -0.7225000     -8.9400001E-02
 C    1.064700       1.425000      0.6912000    
 C    1.593600      -1.100300     -0.3694000    
 C    2.642400     -0.2153000     -0.1191000    
 C    2.377900       1.047400      0.4111000    
 C   -1.344000       2.946900      -1.171100    
 C   -2.551500      0.8891000      -1.777900    
 C  -0.7888000      -1.673000     -0.3652000    
 C    4.947400      0.3703000     -0.1114000    
 C   -2.073300      -3.451100      0.5677000    
 H   0.8826000       2.415100       1.097800    
 H    1.806700      -2.083300     -0.7832000    
 H    3.144000       1.784000      0.6281000    
 H   -1.076100       3.613600     -0.3469000    
 H   -1.960100       3.525700      -1.866800    
 H  -0.4390000       2.620800      -1.690700    
 H   -3.166400      6.7400001E-02  -1.404900    
 H   -1.689600      0.5191000      -2.337200    
 H   -3.183500       1.458400      -2.468500    
 H    5.001400      0.5998000      0.9583000    
 H    4.836800       1.271200     -0.7244000    
 H    5.901900     -8.9299999E-02 -0.3881000    
 H   -3.022100      -2.969300      0.3136000    
 H   -2.187800      -3.972100       1.521900    
 H   -1.792200      -4.177900     -0.2001000    


%chk=000052932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052932

0 1
S -1.482638 1.639219 0.757849
O -2.372438 0.591728 1.634208
O -1.048588 3.067522 1.403797
O 4.089416 -0.831945 0.163554
O -0.494120 -2.747767 -0.029686
O -1.743194 -1.027886 -0.975742
N -2.504181 2.138274 -0.788480
C 0.238953 0.824715 0.373390
C 0.419295 -0.541092 0.034993
C 1.329556 1.665059 0.636988
C 1.734181 -1.051669 -0.006992
C 2.844783 -0.209111 0.248618
C 2.645425 1.158544 0.562876
C -1.614270 2.327604 -1.956244
C -3.667809 1.248520 -1.005203
C -0.720335 -1.420353 -0.366370
C 5.282450 -0.020772 0.438915
C -1.573740 -3.694780 -0.405586
H 1.133638 2.700115 0.937604
H 1.905784 -2.103382 -0.248540
H 3.486998 1.825939 0.767442
H -0.770851 2.984751 -1.682786
H -2.208126 2.852210 -2.727542
H -1.233335 1.376966 -2.387698
H -3.961286 0.802345 -0.038114
H -3.474243 0.431440 -1.723260
H -4.497648 1.890058 -1.357849
H 5.264792 0.376164 1.471639
H 5.374343 0.812467 -0.283663
H 6.128905 -0.711671 0.319744
H -2.517418 -3.396629 0.079817
H -1.227381 -4.670332 -0.038533
H -1.710417 -3.703150 -1.500046


