%chk=000049090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049090

0 1
 S   -5.000400      0.5596000      0.9195000    
 O    1.079100      -1.115400      0.1129000    
 O   0.3521000      0.4942000       1.589300    
 N    4.412000      0.4554000      1.1000000E-02
 C    3.028100      0.1825000     -0.3753000    
 C    5.222000     -0.7572000     -9.9100001E-02
 C    4.973000       1.521900     -0.8175000    
 C    2.425800     -0.8954000      0.5117000    
 C    6.649500     -0.5072000      0.3568000    
 C    4.143400       2.790600     -0.7152000    
 C   0.1389000     -0.3505000      0.7335000    
 C   -1.219900     -0.6762000      0.2315000    
 C   -2.303600      4.0000002E-03  0.7483000    
 C   -3.579500     -0.3011000      0.2743000    
 C   -1.356200      -1.648000     -0.7385000    
 C   -3.743700      -1.279800     -0.7059000    
 C   -2.632100      -1.953200      -1.212400    
 C   -5.672100       1.336700     -0.5770000    
 C   -6.916600       2.139200     -0.2480000    
 H    2.947900     -0.1149000      -1.429800    
 H    2.395800       1.068400     -0.2570000    
 H    4.857000      -1.540200      0.5710000    
 H    5.221300      -1.163200      -1.118300    
 H    5.058900       1.222500      -1.869700    
 H    5.974200       1.794500     -0.4684000    
 H    2.497300     -0.6466000       1.577800    
 H    2.906700      -1.866700      0.3726000    
 H    7.229000      6.3100003E-02 -0.3756000    
 H    6.683600      1.2200000E-02   1.320700    
 H    7.167300      -1.464700      0.4846000    
 H    3.212400       2.730700      -1.287400    
 H    3.910100       3.043300      0.3249000    
 H    4.708900       3.631100      -1.133800    
 H   -2.174100      0.7669000       1.511600    
 H  -0.5198000      -2.196200      -1.160200    
 H   -4.728600      -1.541400      -1.084400    
 H   -2.760700      -2.716500      -1.974300    
 H   -5.924400      0.5686000      -1.314200    
 H   -4.912000       1.992700      -1.013600    
 H   -7.311200       2.604900      -1.157200    
 H   -6.701000       2.940600      0.4669000    
 H   -7.706300       1.504200      0.1679000    


%chk=000049090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049090

0 1
S -5.034836 1.121406 0.691563
O 1.077211 -1.118489 0.513070
O 0.441526 1.089780 0.926406
N 4.497717 0.255500 -0.408935
C 3.078932 -0.119334 -0.618162
C 5.466250 -0.527736 -1.218828
C 4.736819 1.721570 -0.415272
C 2.508321 -0.714409 0.685607
C 6.874605 -0.587978 -0.594861
C 4.051937 2.451739 0.756394
C 0.132445 -0.100057 0.658607
C -1.262864 -0.596929 0.467553
C -2.323712 0.335416 0.611747
C -3.659350 -0.085517 0.445230
C -1.542950 -1.949335 0.145119
C -3.940193 -1.439617 0.135501
C -2.881633 -2.363876 -0.022034
C -5.626757 1.304591 -1.117408
C -6.832716 2.252675 -1.150495
H 2.978558 -0.864234 -1.432381
H 2.470923 0.760534 -0.907477
H 5.075471 -1.559969 -1.292999
H 5.539927 -0.138545 -2.266932
H 4.403191 2.178845 -1.382474
H 5.827161 1.885823 -0.345705
H 2.581373 0.019402 1.504697
H 3.023921 -1.647998 0.958307
H 7.355681 0.405567 -0.553807
H 6.815924 -0.982430 0.434715
H 7.529144 -1.249080 -1.192990
H 2.953486 2.332090 0.737625
H 4.425233 2.062482 1.720516
H 4.271918 3.534554 0.707837
H -2.087864 1.376739 0.852065
H -0.715257 -2.655129 0.036123
H -4.980855 -1.767269 0.036074
H -3.105384 -3.408854 -0.261976
H -5.887848 0.298633 -1.486641
H -4.778639 1.697125 -1.702268
H -7.186414 2.376735 -2.190725
H -6.567929 3.251273 -0.759834
H -7.670375 1.857706 -0.548551


