%chk=000173413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000173413

0 1
 S  -0.5737000      -2.226500      -1.422800    
 O   -2.769900     -0.6367000      0.7155000    
 O    4.242400       1.531300       1.879300    
 O    5.829000      4.1999999E-03   1.915600    
 N   -4.195800       2.177000      0.1556000    
 N    2.340700      -1.222000     -0.7111000    
 N    3.553200      0.8650000     -0.7766000    
 N    4.676500      0.3892000       1.668100    
 C   -4.314400       1.140500       1.195200    
 C   -4.058900     -0.2086000      0.6711000    
 C   -2.758100      -1.889500      0.1895000    
 C   -1.422900      -2.574100      0.1337000    
 C   -4.870200      -1.174400      0.1226000    
 C   -4.025400      -2.265900     -0.1903000    
 C   0.9376000      -3.191600      -1.116300    
 C    1.894600      -2.483000     -0.1658000    
 C   -4.944800       3.366300      0.5463000    
 C   -2.791300       2.499100     -7.2300002E-02
 C    3.224700     -0.3222000     -0.1122000    
 C    3.782400     -0.5533000       1.096200    
 C    3.089300       1.333200      -2.060600    
 C    2.016800       2.317400      -1.895600    
 C    1.137800       3.124600      -1.764800    
 H   -5.340100       1.133600       1.589700    
 H   -3.668600       1.357200       2.056400    
 H  -0.8172000      -2.233500      0.9787000    
 H   -1.570300      -3.654600      0.2336000    
 H   -5.937100      -1.103200     -3.3799998E-02
 H    1.425800      -3.345300      -2.085200    
 H   0.6697000      -4.180300     -0.7299000    
 H   -4.307400      -3.208600     -0.6371000    
 H    2.763600      -3.134400     -1.2300000E-02
 H    1.431000      -2.332700      0.8151000    
 H   -4.584100       3.792300       1.489800    
 H   -4.873500       4.138400     -0.2281000    
 H   -6.010700       3.136200      0.6556000    
 H   -2.699100       3.276700     -0.8397000    
 H   -2.291600       2.861200      0.8339000    
 H   -2.235700       1.636300     -0.4538000    
 H    1.927500     -0.9201000      -1.585800    
 H    4.195200       1.492000     -0.3020000    
 H    3.675600      -1.436300       1.709800    
 H    3.932900       1.815600      -2.568600    
 H    2.778600      0.5164000      -2.719000    
 H   0.3567000       3.838900      -1.647500    


%chk=000173413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173413

0 1
S -0.405186 -2.004926 -1.562833
O -2.457569 -0.210010 0.617617
O 5.749298 0.794543 1.318305
O 6.317287 -1.254412 2.187718
N -4.799276 2.336639 -0.092170
N 2.471659 -1.092609 -0.608710
N 3.639261 0.929951 -0.183146
N 5.525198 -0.518735 1.463917
C -4.062740 1.647407 0.997171
C -3.812588 0.198478 0.694268
C -2.454796 -1.598959 0.332475
C -1.136830 -2.264956 0.208070
C -4.627407 -0.897104 0.456106
C -3.768216 -2.035825 0.223026
C 1.178812 -3.039857 -1.438681
C 2.214501 -2.525791 -0.421990
C -5.249716 3.681632 0.322156
C -4.045926 2.360325 -1.362328
C 3.504334 -0.419746 0.015123
C 4.423607 -1.121204 0.840659
C 2.797552 1.749286 -1.064504
C 1.365993 1.759526 -0.680323
C 0.177105 1.673219 -0.365909
H -4.675470 1.734382 1.914726
H -3.076042 2.132254 1.221831
H -0.410684 -1.854771 0.928227
H -1.241525 -3.351911 0.351574
H -5.714693 -0.879629 0.441423
H 1.586421 -3.007204 -2.463584
H 0.903506 -4.081197 -1.200440
H -4.081241 -3.054655 0.002204
H 3.152181 -3.093895 -0.576613
H 1.874818 -2.738777 0.614814
H -4.407417 4.386157 0.540513
H -5.864776 4.125285 -0.480153
H -5.875977 3.603848 1.229082
H -4.665955 2.824833 -2.148652
H -3.084659 2.932713 -1.293587
H -3.811416 1.329379 -1.678251
H 1.659230 -0.555415 -0.946148
H 4.459672 1.317308 0.345889
H 4.322987 -2.180041 1.057506
H 3.200678 2.776737 -1.037293
H 2.879440 1.400568 -2.116042
H -0.852633 1.532958 -0.082943


