%chk=000003546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003546

0 1
 S   0.1419000      0.9466000       1.305400    
 O   0.7576000       2.261800       1.236100    
 O  -0.2620000      0.4059000       2.592700    
 N    1.157600     -0.1820000      0.5258000    
 N   -3.945600      -2.312000     -1.3100000E-02
 N    3.933000     -8.5000005E-03 -0.2117000    
 N    6.139100      6.3000001E-02  0.4933000    
 N    5.632200      -1.409300      -1.171200    
 C   -1.275900      0.9438000      0.2676000    
 C   -2.154000     -0.1493000      0.1864000    
 C   -3.269500     -7.1000002E-02 -0.6727000    
 C    1.590900      5.1500000E-02 -0.8592000    
 C   -1.501600       2.094000     -0.4907000    
 C   -3.486900       1.091200      -1.431300    
 C   -1.955200      -1.315800      0.9339000    
 C   -2.604600       2.167300      -1.338300    
 C    2.941400     -0.6040000      -1.110000    
 C   -4.120000      -1.177000     -0.7268000    
 C   -2.867400      -2.351200      0.7985000    
 C    5.149200     -0.4453000     -0.3145000    
 H    1.118400      -1.164000      0.8257000    
 H    1.664200       1.126200      -1.057300    
 H   0.8467000     -0.3760000      -1.539100    
 H  -0.8375000       2.952200     -0.4512000    
 H   -4.342900       1.165100      -2.098100    
 H   -1.117900      -1.492400       1.593800    
 H    2.862600      -1.682900     -0.9280000    
 H    3.222200     -0.4405000      -2.157200    
 H   -2.777800       3.062600      -1.928500    
 H   -4.997200      -1.182200      -1.368100    
 H   -2.743600      -3.275000       1.354700    
 H    5.937500      0.7831000       1.178500    
 H    7.096700     -0.2644000      0.4287000    
 H    6.611700      -1.672800      -1.162300    
 H    5.036600      -1.889900      -1.835900    


%chk=000003546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003546

0 1
S 0.198103 1.492528 0.895269
O 0.590484 3.028975 0.486872
O 0.116993 1.043966 2.460679
N 1.308382 0.253641 0.098848
N -3.678510 -2.523455 0.438118
N 3.933085 -0.309990 -0.142946
N 5.667259 -1.231238 1.135759
N 5.608451 -1.732469 -1.159883
C -1.442378 1.125520 0.007879
C -2.130186 -0.112105 0.208830
C -3.376359 -0.276663 -0.516665
C 1.970799 0.728877 -1.146530
C -1.915670 2.145543 -0.807446
C -3.861396 0.769995 -1.365173
C -1.704171 -1.189259 1.052563
C -3.149629 1.962162 -1.507707
C 3.144877 -0.250099 -1.388762
C -4.089380 -1.513517 -0.349384
C -2.489782 -2.340607 1.130669
C 5.016546 -1.054063 -0.087619
H 2.070555 0.052928 0.792277
H 2.363431 1.760024 -1.040209
H 1.257149 0.695142 -1.988549
H -1.339272 3.073530 -0.893262
H -4.807270 0.620544 -1.899204
H -0.785284 -1.102710 1.636900
H 2.733856 -1.246382 -1.667954
H 3.722324 0.136467 -2.260368
H -3.525178 2.764300 -2.150637
H -5.033176 -1.666827 -0.889337
H -2.191453 -3.179041 1.768063
H 5.231410 -0.775474 1.935167
H 6.671885 -1.392269 1.166602
H 6.257751 -2.498866 -1.000480
H 5.235654 -1.610309 -2.096480


