%chk=000052200.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052200

0 1
 S   -1.860800     -0.6564000      0.5815000    
 O   3.9000001E-02  -1.258600      -1.985100    
 O   0.4830000       1.379300       1.874400    
 O    3.783300      -1.564300      0.6500000    
 N    1.952100      -1.337600     -0.7214000    
 N    2.173500     -2.0400001E-02   1.206900    
 C   0.4047000      0.5388000     -0.3989000    
 C    1.011700       1.673200      -1.243800    
 C   -1.120300      0.7099000     -0.3405000    
 C   0.7441000     -0.7721000      -1.101300    
 C   0.9862000      0.6676000       1.005400    
 C   0.7542000       3.019900     -0.6062000    
 C   -3.594900     -0.1570000      0.4599000    
 C    2.719300      -1.001100      0.3874000    
 C   -4.007800     -8.5699998E-02  -1.005300    
 C   -4.467300      -1.135500       1.236900    
 H   0.5922000       1.662100      -2.257900    
 H    2.094900       1.538000      -1.359600    
 H   -1.510700      0.7315000      -1.361300    
 H   -1.424000       1.630000      0.1653000    
 H    1.156700       3.798300      -1.266300    
 H  -0.3050000       3.254500     -0.4826000    
 H    1.269400       3.151300      0.3488000    
 H   -3.706900      0.8327000      0.9169000    
 H    2.271400      -2.134400      -1.265300    
 H    2.656000      0.1539000       2.084100    
 H   -5.096200      2.6600000E-02  -1.081700    
 H   -3.587400      0.7835000      -1.518300    
 H   -3.740000     -0.9920000      -1.560000    
 H   -5.517400     -0.8247000       1.199200    
 H   -4.178900      -1.176600       2.293300    
 H   -4.409500      -2.149300      0.8242000    


%chk=000052200-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052200

0 1
S -1.973853 -1.021374 -0.764451
O 1.112227 -0.987243 -2.532590
O -0.425124 1.280224 1.461720
O 2.967927 -1.879955 1.634349
N 2.042026 -1.370914 -0.451532
N 1.333007 -0.215779 1.484300
C 0.417997 0.530275 -0.728067
C 1.232885 1.803001 -1.223526
C -1.022868 0.536763 -1.286820
C 1.179358 -0.675511 -1.317076
C 0.370151 0.554333 0.807295
C 0.599792 3.169142 -0.893297
C -3.246783 -0.267331 0.469171
C 2.174680 -1.201578 0.937085
C -4.358249 0.477333 -0.288753
C -3.783466 -1.433989 1.315878
H 1.341160 1.689784 -2.319008
H 2.253088 1.751383 -0.793287
H -0.994969 0.556440 -2.386820
H -1.573885 1.407215 -0.901987
H 1.288176 3.973956 -1.208680
H -0.353541 3.320529 -1.428933
H 0.404055 3.286018 0.185880
H -2.661014 0.428068 1.095518
H 2.604496 -2.123462 -0.862293
H 1.363289 -0.128188 2.505537
H -5.060532 0.943805 0.429990
H -3.952577 1.279763 -0.931043
H -4.926640 -0.219016 -0.930757
H -4.532604 -1.057254 2.037608
H -2.975399 -1.928556 1.882179
H -4.278210 -2.192486 0.681111


