%chk=000006249.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006249

0 1
 S  -0.5402000      0.6609000       1.082600    
 O   -2.130400      -2.194400      -1.872200    
 O   -4.793700       1.602600     -0.7951000    
 O   -4.995900     -0.5119000      3.2000002E-02
 O    1.850200      -2.015200       1.626200    
 N   -2.367400     -0.8786000      7.2700001E-02
 N   0.6507000      -1.782800     -0.3445000    
 N    4.189000      -2.179200      0.1652000    
 C   -1.324200     -0.9926000       1.096300    
 C   -2.153500       1.464400      0.6124000    
 C   -2.807900      0.4391000     -0.3384000    
 C  -0.6744000      -2.073100      0.2212000    
 C   -1.840800      -1.826300     -0.7564000    
 C   -2.941900       1.730800       1.901900    
 C   -1.861600       2.783400     -0.1053000    
 C   -4.303300      0.4262000     -0.3336000    
 C    1.820200      -1.778500      0.4196000    
 C    3.061500      -1.427100     -0.3931000    
 C    3.305600      6.7699999E-02 -0.3871000    
 C    2.733100      0.8483000      -1.375500    
 C    4.095500      0.6182000      0.6063000    
 C    2.957800       2.224900      -1.370200    
 C    4.320200       1.994900      0.6116000    
 C    3.751300       2.798300     -0.3766000    
 H   -1.712300      -1.327600       2.062500    
 H   -2.477700      0.5810000      -1.376400    
 H  -0.7093000      -3.078800      0.6571000    
 H   -3.203800      0.8051000       2.426600    
 H   -2.372200       2.359800       2.596500    
 H   -3.876900       2.262400       1.692800    
 H   -1.312700       3.479000      0.5404000    
 H   -1.265700       2.630200      -1.012700    
 H   -2.788100       3.285000     -0.4044000    
 H   0.7320000      -1.569800      -1.335900    
 H    2.929400      -1.770900      -1.426800    
 H   -5.774500       1.614600     -0.7988000    
 H    5.018800      -2.021800     -0.4065000    
 H    3.995100      -3.178400      0.1028000    
 H    2.113100      0.4121000      -2.153100    
 H    4.536800      2.3000000E-02   1.399700    
 H    2.513800       2.850600      -2.138900    
 H    4.934300       2.442300       1.387700    
 H    3.924800       3.870400     -0.3715000    


%chk=000006249-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006249

0 1
S -0.684839 1.118652 1.097256
O -1.558535 -1.410181 -2.280554
O -5.317225 1.322723 -0.678869
O -5.113315 -0.595553 0.623628
O 1.832443 -3.296658 0.625526
N -2.290160 -0.660743 -0.084360
N 0.985187 -1.300591 -0.219345
N 4.394658 -2.375163 0.485072
C -1.252743 -0.691351 0.981291
C -2.521196 1.673297 0.725249
C -3.086165 0.552823 -0.265991
C -0.388201 -1.634476 0.058182
C -1.454665 -1.290855 -1.049516
C -3.282404 1.721222 2.067725
C -2.484087 3.050233 0.039924
C -4.580505 0.313982 -0.036363
C 2.017788 -2.177432 0.060426
C 3.434624 -1.746181 -0.424087
C 3.614019 -0.226572 -0.509703
C 3.394799 0.454651 -1.733818
C 3.980895 0.517230 0.639860
C 3.525323 1.861442 -1.806998
C 4.111590 1.920705 0.567691
C 3.880751 2.598343 -0.654227
H -1.564614 -1.070969 1.963064
H -2.961430 0.902884 -1.307999
H -0.421542 -2.686908 0.389749
H -3.326965 0.732239 2.555030
H -2.779415 2.421457 2.754691
H -4.319121 2.078266 1.914169
H -2.078407 3.817193 0.722746
H -1.861667 3.030918 -0.871425
H -3.509643 3.350149 -0.244113
H 1.208406 -0.376053 -0.600377
H 3.484377 -2.143294 -1.471556
H -6.289521 1.172294 -0.525649
H 5.356899 -2.400706 0.142672
H 4.053639 -3.263478 0.868377
H 3.137379 -0.116484 -2.635714
H 4.178051 -0.031868 1.566685
H 3.358771 2.376591 -2.759695
H 4.395377 2.488681 1.461099
H 3.986189 3.687742 -0.708652


