%chk=000153253.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153253

0 1
 S   -6.589400      0.3702000      0.3333000    
 O    2.039100      -3.459800       1.298400    
 O   -2.213900      -2.115900     -0.5111000    
 O    1.835700     -6.8400003E-02  -1.972200    
 O   0.9930000       4.077800      6.7800000E-02
 O   -7.002300       1.910500     -1.0200000E-02
 O   0.8408000       2.147700       2.062400    
 O   -6.414100      0.2434000       1.768900    
 O   -7.464200     -0.5223000     -0.4057000    
 N    3.294900      -2.945000      0.9575000    
 C    4.463300      -1.282300     -0.4825000    
 C    3.236300      -1.956200      6.2000002E-03
 C    1.952300      -1.782800     -0.3190000    
 C    4.847500     -3.5799999E-02  0.3289000    
 C    1.197300      -2.717500      0.4826000    
 C    3.814700       1.063000      0.2618000    
 C    1.259200     -0.8824000      -1.264200    
 C  -0.1348000      -2.808300      0.4060000    
 C  -0.8478000      -1.940000     -0.5121000    
 C   -4.239100     -0.9009000     -0.1506000    
 C  -0.2289000      -1.038300      -1.298000    
 C   -2.878100     -0.9076000     -0.8299000    
 C   -5.002800      0.3797000     -0.4388000    
 C    2.796500       1.096800       1.201500    
 C    3.903400       2.018400     -0.7382000    
 C    1.842400       2.112500       1.139700    
 C    2.949100       3.033800     -0.8002000    
 C    1.918600       3.081000      0.1388000    
 C  -0.1687000       3.828800     -0.7211000    
 H    5.301100      -1.990900     -0.4616000    
 H    4.337300      -1.006700      -1.537200    
 H    5.808000      0.3479000     -3.9200000E-02
 H    5.026200     -0.3089000       1.377600    
 H    4.136300      -3.265300       1.414600    
 H  -0.6904000      -3.513300       1.013700    
 H   -4.816000      -1.773600     -0.4820000    
 H   -4.106500      -1.034800      0.9305000    
 H   -3.006400     -0.8351000      -1.916800    
 H   -2.347400     -1.8800000E-02 -0.4597000    
 H  -0.7365000     -0.4011000      -2.013100    
 H   -4.454100       1.243200     -4.8200000E-02
 H   -5.158300      0.5145000      -1.513800    
 H    2.742800      0.3468000       1.986300    
 H    4.700500       1.988500      -1.475400    
 H    3.014500       3.784700      -1.582900    
 H   -6.513500       2.603300      0.4933000    
 H   0.9441000       1.396300       2.671200    
 H  -0.8161000       4.708200     -0.6655000    
 H  -0.7188000       2.963900     -0.3363000    
 H   0.1074000       3.662400      -1.767300    


%chk=000153253-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153253

0 1
S -8.032836 -1.125253 -0.903583
O 1.501866 -2.305214 1.937938
O -2.940749 -1.533492 0.135876
O 1.091283 -0.640430 -2.508451
O 3.062866 4.917080 0.767437
O -8.775668 -0.619857 -2.537055
O 5.314432 3.780349 2.191646
O -8.394682 -0.029286 0.229206
O -8.326152 -2.690470 -0.622756
N 2.778669 -2.210113 1.237889
C 3.769678 -1.450651 -0.958706
C 2.610852 -1.690450 -0.029159
C 1.239555 -1.530082 -0.254734
C 4.843572 -0.464873 -0.419313
C 0.548887 -1.920723 0.945234
C 4.330272 0.930597 -0.068860
C 0.495841 -1.053748 -1.436874
C -0.819819 -1.935320 1.098592
C -1.552175 -1.499102 -0.068219
C -5.246903 -1.281164 -0.458474
C -0.949103 -1.082303 -1.264610
C -3.808650 -1.114427 -0.974186
C -6.240437 -0.877009 -1.548883
C 5.003740 1.685644 0.923079
C 3.235333 1.528652 -0.741626
C 4.614200 3.005725 1.240517
C 2.830998 2.838886 -0.408715
C 3.498574 3.596327 0.579659
C 2.889942 5.406986 2.151247
H 4.258272 -2.419102 -1.184225
H 3.327628 -1.082349 -1.900429
H 5.620591 -0.385035 -1.206670
H 5.358798 -0.902664 0.460653
H 3.562093 -2.124552 1.886685
H -1.344540 -2.236107 2.005116
H -5.401046 -2.335367 -0.165180
H -5.380390 -0.655133 0.442101
H -3.620200 -1.754192 -1.860345
H -3.592476 -0.060092 -1.241848
H -1.537803 -0.747110 -2.122252
H -6.223057 0.191298 -1.816104
H -6.215639 -1.511944 -2.448553
H 5.866482 1.246724 1.447115
H 2.681957 0.984642 -1.516194
H 1.982520 3.309155 -0.915193
H -9.771205 -0.654514 -2.451693
H 6.108470 3.288221 2.517218
H 2.499212 6.429659 2.038272
H 3.848276 5.412105 2.694359
H 2.152870 4.781378 2.691249


