%chk=000062538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062538

0 1
 S    3.298400      -1.857400       1.341200    
 O   -2.866500       3.737800      0.7826000    
 O  -0.6204000      -1.724200     -0.3754000    
 O   -4.546300       1.844900      0.2566000    
 O    2.482600      -2.994800      0.4989000    
 O    4.579300      -2.437000       1.712300    
 O    2.406500      -1.311800       2.350300    
 N    1.239100      3.6300000E-02  0.1303000    
 C   -1.187400      0.5232000      0.1202000    
 C   -2.215700       1.453600      0.2842000    
 C   0.1456000      0.9201000      0.2804000    
 C   -2.905400      -1.285700     -0.3885000    
 C   -3.933700     -0.3552000     -0.2247000    
 C   -1.494800     -0.8806000     -0.2219000    
 C   -3.626400       1.048600      0.1176000    
 C    2.566700      0.2299000     -0.2903000    
 C   -1.910900       2.780900      0.6092000    
 C   0.4449000       2.243800      0.6039000    
 C    3.605300     -0.5728000      0.1911000    
 C  -0.5812000       3.172200      0.7681000    
 C   -3.210100      -2.613200     -0.7126000    
 C   -5.266800     -0.7520000     -0.3851000    
 C    2.849200       1.245900      -1.208100    
 C    4.914400     -0.3615000     -0.2415000    
 C    5.190900      0.6537000      -1.157400    
 C    4.158400       1.457400      -1.640700    
 C   -4.539900      -3.004400     -0.8715000    
 C   -5.566000      -2.076000     -0.7079000    
 C    6.590100      0.8787000      -1.621500    
 H    1.018900     -0.9239000      0.3733000    
 H    1.464500       2.581300      0.7687000    
 H  -0.3377000       4.199300       1.027100    
 H   -2.430200      -3.358100     -0.8459000    
 H   -6.086000     -4.8599999E-02 -0.2634000    
 H    2.065000       1.870500      -1.627200    
 H    5.733600     -0.9781000      0.1178000    
 H    4.359400       2.246000      -2.361000    
 H   -4.775600      -4.034500      -1.122900    
 H   -6.600400      -2.383300     -0.8322000    
 H    7.305200      0.7007000     -0.8111000    
 H    6.823200      0.2053000      -2.452300    
 H    6.737800       1.910600      -1.957600    
 H   -3.751800       3.367100      0.6506000    
 H    2.968400      -3.385000     -0.2653000    


%chk=000062538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062538

0 1
S 2.970311 -2.015460 0.902606
O -2.981812 3.685123 0.734945
O -0.489416 -1.764096 -0.557253
O -4.592768 1.807310 0.485544
O 2.056708 -2.909007 -0.429607
O 4.271974 -2.897825 1.254446
O 1.920499 -1.587697 2.060397
N 1.227507 0.167024 -0.457999
C -1.154519 0.518785 -0.108560
C -2.239766 1.421294 0.185765
C 0.192650 1.031545 -0.146071
C -2.845619 -1.367456 -0.276704
C -3.916042 -0.459606 -0.010673
C -1.438504 -0.901168 -0.324232
C -3.627353 0.964198 0.231464
C 2.608666 0.428273 -0.579217
C -1.979989 2.799512 0.460747
C 0.421998 2.414286 0.188399
C 3.554668 -0.511998 -0.090018
C -0.630159 3.272093 0.481753
C -3.135813 -2.737358 -0.502009
C -5.253019 -0.930363 0.026898
C 3.145976 1.549146 -1.267117
C 4.938144 -0.387865 -0.254698
C 5.462263 0.744326 -0.931010
C 4.539127 1.701251 -1.424518
C -4.466039 -3.196940 -0.463613
C -5.527868 -2.292169 -0.198449
C 6.957568 0.902746 -1.125514
H 0.882004 -0.817469 -0.580038
H 1.447751 2.786018 0.247831
H -0.455207 4.318218 0.748373
H -2.303750 -3.417309 -0.706123
H -6.049953 -0.210331 0.235584
H 2.464260 2.272247 -1.724652
H 5.596983 -1.164908 0.149705
H 4.916722 2.575707 -1.966530
H -4.682556 -4.255972 -0.638608
H -6.560454 -2.655192 -0.168595
H 7.497422 0.834720 -0.163492
H 7.360793 0.107691 -1.780204
H 7.204451 1.874457 -1.585137
H -3.881052 3.133809 0.693641
H 1.067416 -2.859890 -0.229055


