%chk=000005309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005309

0 1
 S   -4.874400     -0.9580000     -0.7876000    
 O    1.835800       2.316400      0.4645000    
 O   -6.053400     -0.1921000      -1.174200    
 O   -4.332400      -1.927100      -1.732900    
 N    3.026700     -0.8139000      0.7001000    
 N  -0.4886000       2.727700      0.5575000    
 N   -5.195500      -1.758800      0.7115000    
 C    4.380000     -0.7801000      0.5123000    
 C    4.631000     -0.3646000     -0.7802000    
 C    5.397500      -1.105500       1.545600    
 C    6.010500     -0.2322000      -1.323700    
 C    6.773800      -1.289500      0.8779000    
 C    7.053900     -0.2129000     -0.1889000    
 C    2.403700     -0.4285000     -0.4610000    
 C    3.375900     -0.1449000      -1.398100    
 C    1.000500     -0.3979000     -0.4793000    
 C   0.1684000      0.6488000     -0.1389000    
 C   -1.289900      0.6928000     -0.1537000    
 C   -1.635900       1.976700      0.2776000    
 C   -3.603300      0.1705000     -0.3778000    
 C   -2.266300     -0.2268000     -0.4867000    
 C   0.6731000       1.983700      0.3273000    
 C   -2.948900       2.389400      0.3923000    
 C   -3.941200       1.465900      5.7500001E-02
 C   -4.078000      -2.501800       1.347200    
 C   -6.023100      -1.037500       1.711700    
 H    5.449500     -0.2822000       2.267900    
 H    5.125900      -2.014100       2.093700    
 H    6.211500      -1.083200      -1.985900    
 H    6.102000      0.6802000      -1.923300    
 H    7.556400      -1.268900       1.644800    
 H    6.818500      -2.277800      0.4022000    
 H    8.054500     -0.3577000     -0.6118000    
 H    7.049600      0.7732000      0.2935000    
 H    2.563000      -1.077300       1.559600    
 H    3.199900      0.1822000      -2.413900    
 H   0.5232000      -1.319300     -0.8092000    
 H   -1.994600      -1.223700     -0.8164000    
 H  -0.5132000       3.686300      0.8844000    
 H   -3.207400       3.386600      0.7294000    
 H   -4.981200       1.768900      0.1475000    
 H   -3.421400      -1.824000       1.899800    
 H   -3.497800      -3.044700      0.5959000    
 H   -4.482800      -3.245200       2.041300    
 H   -6.351100      -1.733000       2.490900    
 H   -6.923300     -0.6300000       1.244100    
 H   -5.452000     -0.2301000       2.177800    


%chk=000005309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005309

0 1
S -4.870547 -0.493446 -1.098341
O 1.819169 2.200082 1.771336
O -6.165868 0.471367 -1.285348
O -4.122218 -1.243188 -2.333245
N 3.345964 0.432086 0.522712
N -0.521654 2.524321 1.773837
N -5.481042 -1.908977 0.030706
C 4.617549 -0.029135 0.295702
C 4.552798 -1.141409 -0.599751
C 5.878275 0.552493 0.871206
C 5.793611 -1.886664 -1.038118
C 7.049391 -0.450802 0.681994
C 7.066902 -1.044951 -0.749826
C 2.424794 -0.350387 -0.205213
C 3.187931 -1.339305 -0.910718
C 1.018869 -0.166881 -0.211012
C 0.217807 0.768376 0.455283
C -1.243557 0.857488 0.371933
C -1.669216 1.955107 1.196358
C -3.556847 0.495533 -0.168313
C -2.212185 0.110534 -0.328941
C 0.650822 1.854108 1.368359
C -3.018066 2.331037 1.329473
C -3.987801 1.578029 0.625176
C -4.380116 -2.861911 0.300895
C -6.149773 -1.355954 1.230767
H 6.119981 1.505028 0.354764
H 5.747304 0.804715 1.941484
H 5.864680 -2.851833 -0.495023
H 5.739179 -2.140511 -2.113902
H 8.006394 0.061207 0.893694
H 6.951468 -1.274229 1.416833
H 7.966055 -1.674984 -0.884625
H 7.137795 -0.217424 -1.484120
H 3.010254 1.229080 1.122147
H 2.765564 -2.099099 -1.569100
H 0.486583 -0.885291 -0.850314
H -1.955812 -0.714369 -1.002126
H -0.497629 3.325638 2.403332
H -3.319635 3.183242 1.946560
H -5.049113 1.843459 0.658120
H -3.636708 -2.499439 1.047305
H -3.874692 -3.097632 -0.650442
H -4.838051 -3.792445 0.683544
H -6.739863 -2.173876 1.683286
H -6.850567 -0.565418 0.914452
H -5.449078 -0.957371 1.999525


