%chk=000005514.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005514

0 1
 S    3.433000       1.809200      3.0000000E-03
 O   -1.001000      -2.512500     -0.3744000    
 O   0.1457000     -0.5604000       1.470600    
 O    1.253800      -1.976400     -2.7100001E-02
 O   -2.023200      0.9332000      -1.069100    
 O   -3.044800       1.176600       1.029800    
 O    2.373300      0.6140000      0.3641000    
 O    2.694600       3.050300     -0.1430000    
 O    4.526100       1.722300      0.9543000    
 N    4.047500       1.369600      -1.536200    
 C  -0.7815000      -1.138000     -0.7259000    
 C   -2.028300     -0.3362000     -0.4116000    
 C   0.4553000     -0.7839000      9.0999998E-02
 C   -2.172400      4.2300001E-02   1.046700    
 C  -0.8495000      0.4276000       1.696500    
 C   0.3124000      -3.050600     -0.1686000    
 C   -2.927000       1.734600     -0.2910000    
 C    1.263700      0.3742000     -0.4826000    
 C   0.3035000      -3.891300       1.101500    
 C   0.7116000      -3.887500      -1.378300    
 C   -4.307900       1.727100     -0.9433000    
 C   -2.384800       3.155500     -0.2064000    
 H  -0.5639000      -1.106800      -1.801300    
 H   -2.920500     -0.8799000     -0.7480000    
 H   -2.632700     -0.7748000       1.613300    
 H  -0.4875000       1.408100       1.373500    
 H  -0.9942000      0.5178000       2.779100    
 H   0.6659000       1.288000     -0.5486000    
 H    1.626100      0.1195000      -1.484600    
 H    1.298900      -4.291800       1.320000    
 H   1.4000000E-03  -3.286900       1.964100    
 H  -0.4094000      -4.719000       1.024800    
 H   9.9999997E-05  -4.701800      -1.550400    
 H   0.7258000      -3.273000      -2.285600    
 H    1.716400      -4.306000      -1.257700    
 H   -4.716900      0.7114000     -0.9839000    
 H   -4.262200       2.098700      -1.972300    
 H   -5.018600       2.334100     -0.3723000    
 H   -3.022600       3.787700      0.4201000    
 H   -2.296800       3.605700      -1.200800    
 H   -1.383800       3.167400      0.2367000    
 H    4.585200      0.4948000      -1.585900    
 H    3.418100       1.492100      -2.339500    


%chk=000005514-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005514

0 1
S 2.802768 1.819436 0.238071
O -1.149260 -2.651198 -0.361114
O 0.560819 -0.559988 0.998132
O 1.178468 -2.225428 -0.537386
O -2.106321 0.839295 -1.118301
O -2.685556 1.360651 1.130086
O 2.600579 0.344103 -0.930260
O 1.633409 2.858959 -0.172331
O 3.080912 1.441917 1.774886
N 4.351923 2.359439 -0.411730
C -0.942441 -1.285602 -0.878232
C -2.057356 -0.406418 -0.313499
C 0.507508 -0.949157 -0.420796
C -1.845346 0.138579 1.114330
C -0.376271 0.525730 1.377468
C 0.192649 -3.305201 -0.221377
C -2.846875 1.832939 -0.291858
C 1.216039 0.066091 -1.330255
C 0.345459 -3.784570 1.221809
C 0.362440 -4.392914 -1.281713
C -4.345217 1.804728 -0.615126
C -2.189253 3.197728 -0.488617
H -0.996621 -1.275918 -1.986807
H -3.017915 -0.952770 -0.385404
H -2.239228 -0.542571 1.884358
H -0.135906 1.460271 0.838138
H -0.189549 0.684531 2.449622
H 0.631763 1.004859 -1.397160
H 1.323548 -0.361751 -2.343861
H 1.311040 -4.304585 1.345082
H 0.316970 -2.920606 1.903030
H -0.470913 -4.484330 1.472706
H -0.333798 -5.225424 -1.083572
H 0.156725 -3.986524 -2.285805
H 1.395579 -4.780291 -1.260255
H -4.741227 0.778272 -0.535552
H -4.525079 2.180021 -1.637379
H -4.892164 2.441209 0.101496
H -2.675236 3.941416 0.165460
H -2.301425 3.523605 -1.537490
H -1.115186 3.159393 -0.243752
H 5.148541 1.953590 0.092411
H 4.389903 2.363487 -1.436752


