%chk=000005317.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005317

0 1
 S   -2.903000     -0.7734000       1.950900    
 S    3.314100      -2.130300     -0.6259000    
 O   -1.938600       2.658900     -0.6378000    
 O   -6.253600      0.6930000      -1.070300    
 O   -4.426800      0.3293000      -2.384300    
 O    1.259000      -1.122700       1.331600    
 O    1.935100      -2.954100     -0.9069000    
 O    3.796400      -2.463300      0.7009000    
 O    4.166900      -2.234100      -1.794700    
 N   -2.762900      0.4701000     -0.3212000    
 N   0.4034000      0.4207000     -0.1738000    
 C   -1.924400     -0.4642000      0.4358000    
 C   -4.496900     -0.5487000       1.013600    
 C   -4.171000      0.5729000      4.0000002E-03
 C  -0.8673000      0.6461000      0.5102000    
 C   -1.870400       1.502300     -0.2884000    
 C   -4.862300      -1.895100      0.3738000    
 C   -5.592200     -0.1184000       1.990900    
 C   -4.927300      0.5129000      -1.284700    
 C    1.376900     -0.4603000      0.3030000    
 C    2.605600     -0.5104000     -0.5845000    
 C    3.694400      0.4411000     -0.1522000    
 C    4.545500      0.9783000      -1.105300    
 C    3.823800      0.7614000       1.190200    
 C    5.551700       1.857800     -0.7059000    
 C    4.830100       1.641100       1.589500    
 C    5.693900       2.189300      0.6414000    
 H   -1.663100      -1.353600     -0.1459000    
 H   -4.330500       1.568700      0.4392000    
 H  -0.6944000       1.060200       1.511900    
 H   -4.953200      -2.685400       1.128700    
 H   -5.828200      -1.840800     -0.1406000    
 H   -4.118900      -2.219800     -0.3628000    
 H   -5.759000     -0.8757000       2.766100    
 H   -5.343400      0.8238000       2.492900    
 H   -6.547000      2.9200001E-02   1.475200    
 H   0.6075000      0.9329000      -1.028900    
 H    2.301400     -0.2879000      -1.615700    
 H   -6.768100      0.6560000      -1.904700    
 H    4.443000      0.7287000      -2.157500    
 H    3.183800      0.3455000       1.960100    
 H    1.381800      -3.142900     -0.1128000    
 H    6.224400       2.284800      -1.444000    
 H    4.943700       1.896700       2.639000    
 H    6.478000       2.873500      0.9525000    


%chk=000005317-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005317

0 1
S -2.887924 -0.435678 2.120743
S 2.409402 -0.982447 -1.674129
O -2.561560 2.679943 -1.153598
O -6.598635 -0.057319 -1.160709
O -4.779300 -1.030304 -2.239238
O 1.425971 1.548363 1.411169
O 2.088385 -2.053580 -0.171615
O 3.754665 -1.524301 -2.392615
O 1.035047 -0.923760 -2.558582
N -3.044951 0.417533 -0.404818
N 0.176569 0.835324 -0.428035
C -2.021815 -0.247262 0.442559
C -4.574928 -0.701531 1.177756
C -4.464197 0.234590 -0.111880
C -1.094149 1.011480 0.237210
C -2.294372 1.604309 -0.593802
C -4.693793 -2.197973 0.815835
C -5.720000 -0.241849 2.096746
C -5.233958 -0.360922 -1.295143
C 1.363087 1.101845 0.225419
C 2.636284 0.929148 -0.610083
C 3.957610 0.896700 0.024732
C 5.083961 1.343174 -0.728856
C 4.156806 0.385489 1.342506
C 6.375915 1.307269 -0.172365
C 5.451003 0.350850 1.891691
C 6.561255 0.811735 1.140645
H -1.637070 -1.210338 0.078238
H -4.919658 1.216148 0.117312
H -0.931151 1.572159 1.172880
H -4.629446 -2.805911 1.733227
H -5.668755 -2.407313 0.334513
H -3.894890 -2.523843 0.127737
H -5.788521 -0.889878 2.988076
H -5.572282 0.798901 2.433380
H -6.680559 -0.301336 1.552838
H 0.196897 0.379969 -1.358783
H 2.592707 1.509122 -1.549046
H -7.101638 -0.443934 -1.928145
H 4.938611 1.721524 -1.747760
H 3.298110 0.039145 1.921725
H 2.447548 -2.964127 -0.381730
H 7.234106 1.656988 -0.754861
H 5.601310 -0.034822 2.905320
H 7.566204 0.780823 1.576137


