%chk=000022062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022062

0 1
 S    1.491300       3.059700       1.838300    
 S  -0.2000000       4.339300     -0.9446000    
 P   0.1673000       2.789500      0.1971000    
 O   -1.234200       2.197700      0.7909000    
 O   0.6747000       1.492400     -0.6571000    
 C   -2.555700      0.2681000       1.444700    
 C    2.527800      0.1423000      -1.448600    
 C   -2.570000     -0.4046000      5.5799998E-02
 C    3.002600     -0.2819000     -4.2800002E-02
 C   -2.829800     -0.6989000       2.618300    
 C    1.600500     -0.8832000      -2.138800    
 C   -1.240300       1.044300       1.621000    
 C    1.897600       1.542600      -1.372400    
 C   -3.901000      -1.083700     -0.2831000    
 C    3.780400      -1.601900     -3.0500000E-02
 C   -3.898900      -1.762400      -1.655600    
 C    4.232000      -2.022100       1.370900    
 C   -1.836700      -1.844500       2.758400    
 C    1.118400     -0.4873000      -3.527800    
 C   -5.208700      -2.460600      -1.987400    
 C    4.982400      -3.344800       1.393500    
 H   -3.370100       1.006500       1.447100    
 H    3.426100      0.2376000      -2.074700    
 H   -1.756700      -1.137000     -1.5699999E-02
 H   -2.366800      0.3509000     -0.7142000    
 H    3.642000      0.5043000      0.3781000    
 H    2.135800     -0.3750000      0.6236000    
 H   -2.823300     -0.1228000       3.552400    
 H   -3.841200      -1.111600       2.534900    
 H   0.7296000      -1.084000      -1.503000    
 H    2.132700      -1.834500      -2.246700    
 H   -1.146400       1.391100       2.655500    
 H  -0.3788000      0.4058000       1.399300    
 H    2.591900       2.239300     -0.8900000    
 H    1.698500       1.935700      -2.374100    
 H   -4.133300      -1.846400      0.4679000    
 H   -4.707400     -0.3413000     -0.2461000    
 H    3.157800      -2.407200     -0.4344000    
 H    4.656500      -1.513900     -0.6842000    
 H   -3.689300      -1.014500      -2.429700    
 H   -3.086700      -2.497900      -1.696100    
 H    4.875900      -1.241700       1.793600    
 H    3.356600      -2.101600       2.026400    
 H  -0.8148000      -1.475700       2.886400    
 H   -1.861400      -2.505200       1.887100    
 H   -2.085500      -2.447700       3.637700    
 H    1.960800     -0.2281000      -4.176500    
 H   0.4332000      0.3644000      -3.486900    
 H   0.5783000      -1.320600      -3.989000    
 H   -5.430100      -3.243400      -1.255100    
 H   -6.040100      -1.748600      -1.991200    
 H   -5.152300      -2.925100      -2.976700    
 H    4.353800      -4.156700       1.014400    
 H    5.884700      -3.291800      0.7761000    
 H    5.282500      -3.594500       2.415900    
 H   0.7970000       4.015500       2.472600    


%chk=000022062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022062

0 1
S 0.446083 3.758227 1.500803
S -0.259680 3.678085 -2.181254
P -0.062099 2.589291 -0.450940
O -1.440280 1.632463 -0.081288
O 1.167719 1.373468 -0.350365
C -2.836131 0.158474 1.251655
C 3.248611 0.375879 -1.154442
C -3.199457 -0.733739 0.035942
C 3.407147 -0.497474 0.120269
C -2.987121 -0.547462 2.632917
C 2.546528 -0.378183 -2.316065
C -1.416549 0.729601 1.114057
C 2.547961 1.701952 -0.818986
C -4.664894 -1.223160 0.020878
C 4.326450 -1.728573 -0.047772
C -5.019971 -2.001859 -1.267108
C 4.574396 -2.470753 1.285775
C -2.104626 -1.800501 2.842604
C 2.430895 0.426360 -3.630249
C -6.481467 -2.499144 -1.287052
C 5.472768 -3.716063 1.125663
H -3.527628 1.027423 1.254251
H 4.267235 0.668716 -1.498272
H -2.518491 -1.609836 -0.001742
H -3.005164 -0.150108 -0.884788
H 3.817783 0.137035 0.934477
H 2.403216 -0.823574 0.457857
H -2.766705 0.189259 3.432326
H -4.049052 -0.829477 2.764033
H 1.536786 -0.681147 -1.977584
H 3.108959 -1.309594 -2.517214
H -1.132114 1.328653 2.002048
H -0.658884 -0.054078 0.935226
H 3.064856 2.233196 0.002844
H 2.478791 2.364652 -1.702340
H -4.863325 -1.873528 0.897421
H -5.345073 -0.350719 0.117500
H 3.887525 -2.440493 -0.774968
H 5.301125 -1.407839 -0.473463
H -4.835996 -1.351731 -2.146305
H -4.331899 -2.865902 -1.370801
H 5.035617 -1.770538 2.012117
H 3.598880 -2.770088 1.721048
H -1.026458 -1.561475 2.788205
H -2.316135 -2.577895 2.086146
H -2.294199 -2.244420 3.836871
H 3.418525 0.805401 -3.957517
H 1.748786 1.290087 -3.529578
H 2.032090 -0.209925 -4.441358
H -6.682513 -3.176051 -0.434971
H -7.188846 -1.651413 -1.215041
H -6.709558 -3.050782 -2.217635
H 5.018927 -4.445119 0.427812
H 6.465274 -3.440205 0.721746
H 5.632301 -4.228340 2.092293
H -0.251717 4.887268 1.099217


