%chk=000005381.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005381

0 1
 S   -6.534000       1.608000     -0.1303000    
 O    6.722200      0.1883000      0.6546000    
 O    6.732500      -1.176800      -1.187200    
 N    2.685700      0.6673000      0.5659000    
 C   -5.196000      -1.321400      0.5422000    
 C   -6.645900     -0.9099000      0.9060000    
 C   -4.302200     -0.1271000      0.1781000    
 C   -5.216800      -2.304600     -0.6500000    
 C   -4.648300      -2.075500       1.780900    
 C   -7.314000     -2.0800000E-02 -0.1249000    
 C   -4.802600       1.156500     -0.1232000    
 C   -2.903600     -0.3173000      9.9900000E-02
 C   -3.911800       2.200200     -0.4430000    
 C   -2.032500      0.7230000     -0.2259000    
 C   -2.537200       1.985600     -0.4920000    
 C  -0.6246000      0.4861000     -0.2862000    
 C   0.5606000      0.2868000     -0.3372000    
 C    1.969800      4.9800001E-02 -0.3980000    
 C    2.516300     -0.7533000      -1.382900    
 C    4.669300     -0.3181000     -0.4032000    
 C    3.894700     -0.9361000      -1.378600    
 C    4.022300      0.4663000      0.5381000    
 C    6.111000     -0.4895000     -0.3723000    
 C    8.145900      6.2199999E-02  0.7440000    
 C    8.639300      0.8702000       1.925300    
 H   -6.663700     -0.4101000       1.885500    
 H   -7.258400      -1.813900       1.026300    
 H   -5.898800      -3.141600     -0.4610000    
 H   -5.532600      -1.816200      -1.578200    
 H   -4.224800      -2.732000     -0.8385000    
 H   -3.686300      -2.561500       1.588400    
 H   -4.511800      -1.394700       2.629500    
 H   -5.339000      -2.867000       2.095700    
 H   -7.279300     -0.4517000      -1.129200    
 H   -8.369700      0.1152000      0.1317000    
 H   -2.480500      -1.302400      0.2881000    
 H   -4.281900       3.199500     -0.6667000    
 H   -1.878800       2.812400     -0.7462000    
 H    1.903500      -1.231200      -2.140200    
 H    4.345500      -1.563000      -2.143100    
 H    4.551300      0.9834000       1.332300    
 H    8.410300     -0.9923000      0.8797000    
 H    8.603300      0.4368000     -0.1784000    
 H    9.726000      0.7961000       2.023500    
 H    8.365200       1.924300       1.812500    
 H    8.175500      0.5189000       2.852900    


%chk=000005381-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005381

0 1
S -6.522606 1.714848 -0.050853
O 6.960320 0.395309 0.448753
O 6.806929 -1.932795 0.373206
N 2.855228 0.936739 0.241010
C -5.383633 -1.352473 0.007970
C -6.601478 -0.982572 0.915812
C -4.358855 -0.199203 0.043094
C -5.840772 -1.572729 -1.466453
C -4.793529 -2.682713 0.544965
C -7.492111 0.137224 0.371438
C -4.781836 1.164779 0.013639
C -2.968843 -0.448501 0.076107
C -3.829417 2.218763 0.015237
C -1.999780 0.595837 0.069131
C -2.454759 1.946829 0.033762
C -0.603133 0.304591 0.104732
C 0.615094 0.072447 0.141511
C 2.021589 -0.168902 0.192362
C 2.531634 -1.504438 0.195367
C 4.781412 -0.581934 0.308968
C 3.918277 -1.707959 0.253707
C 4.193204 0.712794 0.297713
C 6.249927 -0.804641 0.376472
C 8.447845 0.270297 0.525753
C 9.001574 1.685984 0.646831
H -6.229602 -0.713942 1.923308
H -7.238582 -1.882353 1.032008
H -6.643567 -2.333267 -1.515352
H -6.210705 -0.640905 -1.929420
H -4.991445 -1.930314 -2.075904
H -3.974598 -3.060564 -0.092263
H -4.408670 -2.571747 1.575496
H -5.580490 -3.459198 0.553578
H -8.012931 -0.171266 -0.548813
H -8.237969 0.450353 1.120308
H -2.606629 -1.479364 0.108773
H -4.178450 3.257272 0.005635
H -1.725924 2.763093 0.032452
H 1.834953 -2.346305 0.153208
H 4.354431 -2.711981 0.259009
H 4.830998 1.601124 0.336514
H 8.697982 -0.361300 1.397353
H 8.798895 -0.247591 -0.385256
H 10.104752 1.651223 0.705197
H 8.719265 2.296813 -0.227599
H 8.621106 2.181538 1.556234


