%chk=000005505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005505

0 1
 S    1.077900       2.115000      0.2777000    
 O    1.072500       2.760000      -1.021100    
 O    1.701300       2.760500       1.416800    
 O   -1.354800       1.256400      -1.451900    
 N   -2.737700      0.9669000      0.3790000    
 N  -0.5174000       1.660200      0.6908000    
 C   -3.975400     -0.9538000     -0.5379000    
 C   -3.910600      0.5573000     -0.3427000    
 C   -4.027200      -1.716300      0.7879000    
 C    1.846200      0.5329000      0.1031000    
 C   -4.152100      -3.215000      0.5620000    
 C   -1.539600       1.287500     -0.2389000    
 C    1.841100     -8.7399997E-02  -1.134400    
 C    2.438600     -5.6899998E-02   1.206300    
 C    3.048700      -1.945300     -0.1719000    
 C    2.447000      -1.336200      -1.272900    
 C    3.044500      -1.305700       1.067800    
 C    3.697000      -3.280300     -0.3197000    
 H   -3.104600      -1.289000      -1.115000    
 H   -4.865700      -1.193100      -1.131800    
 H   -4.780700      0.9074000      0.2228000    
 H   -3.923300       1.054600      -1.318700    
 H   -4.880700      -1.370600       1.382500    
 H   -3.122100      -1.523100       1.374600    
 H   -2.788400       1.018700       1.391800    
 H   -3.297600      -3.598500     -4.6000001E-03
 H   -4.187700      -3.741200       1.521100    
 H   -5.066400      -3.453900      9.6000005E-03
 H  -0.7689000       1.697300       1.686700    
 H    1.375200      0.3685000      -2.002400    
 H    2.439500      0.4205000       2.181300    
 H    2.444600      -1.824100      -2.244000    
 H    3.510200      -1.770300       1.933000    
 H    3.633800      -3.855200      0.6104000    
 H    3.205300      -3.874600      -1.097300    
 H    4.751700      -3.158200     -0.5859000    


%chk=000005505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005505

0 1
S 1.084238 2.019005 0.593165
O 1.158058 3.040259 -0.656112
O 1.515943 2.498481 2.088254
O -1.029973 0.651445 -1.233294
N -2.844217 0.973885 0.212762
N -0.662559 1.500476 0.918288
C -4.037160 -1.137848 -0.516575
C -3.825331 0.380859 -0.717796
C -4.619085 -1.516472 0.863484
C 1.987055 0.419383 0.182126
C -4.841454 -3.036877 1.016728
C -1.496840 1.024902 -0.115534
C 1.969852 -0.053158 -1.138554
C 2.686443 -0.196888 1.231264
C 3.433544 -1.898092 -0.391478
C 2.705892 -1.226851 -1.410683
C 3.411272 -1.369944 0.926794
C 4.243048 -3.141145 -0.712120
H -3.069949 -1.653639 -0.673800
H -4.721074 -1.495409 -1.313580
H -4.782918 0.921842 -0.591969
H -3.453813 0.571961 -1.739184
H -5.581668 -0.984752 1.016044
H -3.932668 -1.167550 1.661715
H -3.159684 1.266706 1.137419
H -3.889453 -3.588207 0.902209
H -5.260830 -3.287289 2.008343
H -5.541626 -3.414199 0.247845
H -1.000824 1.917879 1.793885
H 1.387246 0.460176 -1.907470
H 2.673211 0.234605 2.237183
H 2.708661 -1.628328 -2.430235
H 3.968226 -1.876935 1.722943
H 4.328437 -3.807824 0.163355
H 3.793015 -3.715442 -1.540251
H 5.271186 -2.870015 -1.021071


