%chk=000103045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103045

0 1
 S   -5.291800      0.6667000      0.1596000    
 O   -5.881800       1.581200      -1.055600    
 O   -5.130000       1.502600       1.335900    
 O   -6.039100     -0.5774000      0.2109000    
 N   0.8897000      -1.440800      0.2264000    
 N    4.767100       2.609400      0.4713000    
 C  -0.4169000      -1.268700      0.8143000    
 C    1.191900      -2.702400     -0.4526000    
 C   -1.374800     -0.6139000     -0.1785000    
 C   -2.764800     -0.3678000      0.4202000    
 C    1.856800     -0.4270000      0.2831000    
 C   -3.704400      0.3487000     -0.5405000    
 C    2.367900      -3.376700      0.2414000    
 C    1.495400      -2.430100      -1.920300    
 C    1.933400      0.5333000     -0.7314000    
 C    2.753600     -0.3669000       1.355200    
 C    2.895300       1.541700     -0.6743000    
 C    3.786400       1.596000      0.3976000    
 C    3.715400      0.6416000       1.412400    
 C    2.950600       2.550700      -1.774900    
 H  -0.8249000      -2.233500       1.140000    
 H  -0.3450000     -0.6541000       1.720900    
 H   0.3267000      -3.374700     -0.4008000    
 H  -0.9669000      0.3465000     -0.5143000    
 H   -1.471200      -1.242800      -1.072100    
 H   -3.207000      -1.326100      0.7192000    
 H   -2.660800      0.2245000       1.337700    
 H   -3.856800     -0.2437000      -1.448500    
 H   -3.277100       1.317100     -0.8224000    
 H    2.521500      -4.379600     -0.1728000    
 H    3.308400      -2.832200      0.1077000    
 H    2.184000      -3.489300       1.315400    
 H   0.6893000      -1.862000      -2.396700    
 H    1.594600      -3.377100      -2.463000    
 H    2.433600      -1.884400      -2.064800    
 H    1.238400      0.4951000      -1.567100    
 H    2.705500      -1.097300       2.159000    
 H    4.402400      0.6732000       2.254300    
 H    2.778400       3.558200      -1.381700    
 H    3.922000       2.516500      -2.279200    
 H    2.184600       2.365500      -2.536000    
 H    4.842100       3.315300     -0.2476000    
 H    5.403700       2.632900       1.257300    
 H   -5.490500       2.482700      -1.136900    


%chk=000103045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103045

0 1
S -5.567826 0.116870 1.162568
O -6.641208 0.948533 -0.151589
O -5.403897 1.084919 2.453895
O -6.037266 -1.419079 1.390880
N 0.897841 -1.150585 -0.180020
N 4.556580 3.202550 0.427867
C -0.341671 -1.157003 0.603645
C 1.043167 -2.257134 -1.170957
C -1.547006 -0.471194 -0.109705
C -2.813555 -0.489917 0.783446
C 1.808561 -0.068130 -0.049763
C -3.977101 0.176269 0.056387
C 2.062241 -3.345843 -0.733718
C 1.268189 -1.770546 -2.625074
C 3.144950 -0.124690 -0.549283
C 1.434584 1.136562 0.619995
C 4.063564 0.937534 -0.410721
C 3.664766 2.129773 0.269480
C 2.343266 2.199196 0.780728
C 5.472971 0.816030 -0.962823
H -0.620318 -2.206860 0.825380
H -0.166429 -0.670255 1.581556
H 0.052828 -2.755463 -1.172236
H -1.273898 0.569217 -0.369251
H -1.750007 -0.999027 -1.062654
H -3.076574 -1.535689 1.036326
H -2.607662 0.040197 1.733619
H -4.303734 -0.346257 -0.856250
H -3.850215 1.255256 -0.122716
H 1.987988 -4.223989 -1.402315
H 3.104634 -2.987332 -0.761882
H 1.848916 -3.676699 0.298559
H 0.471846 -1.065166 -2.922704
H 1.244023 -2.635545 -3.313268
H 2.234492 -1.257886 -2.756569
H 3.504542 -1.030811 -1.041767
H 0.423572 1.266455 1.017112
H 2.013862 3.105627 1.304567
H 5.688370 1.601320 -1.716328
H 6.237550 0.907232 -0.164161
H 5.627260 -0.159487 -1.453715
H 5.505202 3.154541 0.072606
H 4.269672 4.040635 0.923442
H -7.562170 1.046771 0.225209


