%chk=000064952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064952

0 1
 S    1.973100       1.935900     -0.3588000    
 O    2.120200       3.263100      0.2270000    
 O    2.314800       1.746700      -1.763400    
 O   -3.992100      -1.385400      -1.224900    
 N    2.866700      0.8232000      0.6066000    
 N   -3.634100      0.1988000      0.4840000    
 N    2.042400      -1.224200       1.439100    
 N    3.014500      -1.092200     -0.7620000    
 C   0.3224000       1.424800     -0.1112000    
 C  -0.2476000      0.4731000     -0.9567000    
 C  -0.4264000       1.968100      0.9326000    
 C   -2.315400      0.6079000      0.2854000    
 C   -1.566600      6.4700000E-02 -0.7585000    
 C   -1.745400       1.559600       1.131000    
 C    2.627100     -0.5820000      0.4167000    
 C   -4.370400     -0.7374000     -0.2544000    
 C   -5.769800     -0.8988000      0.2839000    
 C    1.832000      -2.539900       1.227000    
 C    2.774200      -2.412000     -0.9065000    
 C    2.180500      -3.194000      6.3199997E-02
 H   0.3175000      3.6400001E-02  -1.775400    
 H  -1.1000000E-03   2.704800       1.608200    
 H   -1.938200     -0.6757000      -1.453000    
 H   -2.316700       1.989900       1.949600    
 H    2.956000       1.083100       1.597600    
 H   -4.113000      0.6415000       1.265700    
 H   -6.323400      -1.614000     -0.3308000    
 H   -6.289300      6.3299999E-02  0.2621000    
 H   -5.729500      -1.269700       1.311900    
 H    1.358900      -3.071500       2.045700    
 H    3.081800      -2.837800      -1.855600    
 H    1.999300      -4.250700     -8.0100000E-02


%chk=000064952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064952

0 1
S 1.804736 1.718113 -0.123019
O 2.042282 3.094308 0.711925
O 2.321141 1.559571 -1.646886
O -4.508640 -1.140601 -1.414043
N 2.660123 0.510684 0.998267
N -4.124529 0.469373 0.253640
N 3.914579 -1.413132 1.412817
N 2.146929 -1.405310 -0.290285
C -0.010073 1.265519 -0.009521
C -0.545909 0.338828 -0.915880
C -0.773048 1.934721 0.961686
C -2.731255 0.705016 0.126955
C -1.924444 0.053775 -0.849210
C -2.147135 1.644396 1.024650
C 2.917289 -0.814137 0.679417
C -4.940460 -0.404520 -0.483417
C -6.405168 -0.382999 -0.050249
C 4.133785 -2.730919 1.147998
C 2.416047 -2.717385 -0.538805
C 3.407609 -3.440810 0.162773
H 0.102364 -0.153073 -1.645505
H -0.307862 2.669486 1.625779
H -2.383733 -0.660821 -1.533312
H -2.770107 2.152516 1.770916
H 3.293732 0.983688 1.654633
H -4.595965 1.010326 0.983211
H -6.969842 -1.074962 -0.690760
H -6.840707 0.628527 -0.149667
H -6.516514 -0.703707 1.002248
H 4.920328 -3.212648 1.739175
H 1.811620 -3.190509 -1.320452
H 3.605224 -4.493714 -0.049078


