%chk=000147821.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147821

0 1
 S   -6.582200      0.3875000       1.739300    
 O   0.9385000      -1.408000      0.1830000    
 O   0.9898000      0.3725000      -1.373200    
 O   0.7799000      0.8209000      0.9559000    
 N   -5.234100     -8.8799998E-02 -0.6384000    
 C    2.908500      1.9200001E-02  8.5000001E-02
 C    4.423700      8.5000001E-02  0.2090000    
 C    2.366800      -1.402400      0.3101000    
 C    2.419400      0.4600000      -1.305100    
 C    2.201900      0.9250000       1.107700    
 C   0.4541000     -8.6099997E-02 -0.1160000    
 C    5.076800     -0.8388000     -0.8359000    
 C    4.908000       1.527900     -2.5599999E-02
 C    4.855800     -0.3662000       1.616400    
 C   -1.059000     -8.6499996E-02 -0.2541000    
 C   -1.778100      -1.273000     -9.0899996E-02
 C   -1.737700       1.099500     -0.5455000    
 C   -3.167000      -1.273800     -0.2184000    
 C   -3.126700       1.098800     -0.6729000    
 C   -3.841500     -8.7800004E-02 -0.5094000    
 C   -5.796900      0.1151000      0.3789000    
 H    2.738600      -2.124900     -0.4210000    
 H    2.583300      -1.791800       1.308300    
 H    2.670700       1.497700      -1.539300    
 H    2.799300     -0.1690000      -2.114200    
 H    2.415700      0.6521000       2.144300    
 H    2.443200       1.983800      0.9819000    
 H    4.854100     -0.5476000      -1.865900    
 H    6.169600     -0.7900000     -0.7420000    
 H    4.813900      -1.891700     -0.7023000    
 H    4.520400       2.235900      0.7120000    
 H    4.677300       1.900700      -1.027300    
 H    6.001300       1.571200      6.4599998E-02
 H    4.585200      -1.402300       1.837300    
 H    5.949400     -0.3190000       1.701100    
 H    4.468600      0.2766000       2.411500    
 H   -1.289300      -2.215900      0.1355000    
 H   -1.194300       2.031700     -0.6763000    
 H   -3.713700      -2.204800     -9.1300003E-02
 H   -3.641200       2.028600     -0.9023000    


%chk=000147821-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147821

0 1
S -8.137097 0.039256 -0.272317
O 0.920691 -1.378005 0.322318
O 0.908501 0.401539 -1.280254
O 0.840201 0.899576 1.058325
N -5.301271 -0.011142 -0.182977
C 2.975982 0.028475 0.082377
C 4.566582 0.068604 0.119734
C 2.417880 -1.393496 0.365570
C 2.407664 0.458270 -1.296736
C 2.336735 0.970133 1.138260
C 0.414557 -0.049925 0.025217
C 5.175848 -0.891793 -0.943900
C 5.096514 1.503813 -0.174119
C 5.106708 -0.361351 1.515549
C -1.094727 -0.066598 -0.017283
C -1.821612 -1.271866 0.094077
C -1.781631 1.159311 -0.183675
C -3.227497 -1.260505 0.039781
C -3.185637 1.185910 -0.238601
C -3.918281 -0.029259 -0.129194
C -6.506190 0.004817 -0.228077
H 2.743649 -2.124225 -0.394463
H 2.695886 -1.753075 1.371076
H 2.677217 1.498747 -1.547339
H 2.736383 -0.216458 -2.105622
H 2.607964 0.678128 2.167192
H 2.608715 2.025598 0.966450
H 4.874893 -0.625851 -1.972439
H 6.278251 -0.830366 -0.898832
H 4.899588 -1.945756 -0.764434
H 4.748050 2.241446 0.570369
H 4.805494 1.862664 -1.177200
H 6.201015 1.497673 -0.136482
H 4.818090 -1.394546 1.778427
H 6.211073 -0.323652 1.503761
H 4.764441 0.309218 2.323336
H -1.276132 -2.209812 0.222787
H -1.207477 2.086200 -0.264755
H -3.801375 -2.188140 0.124380
H -3.727543 2.127745 -0.365786


