%chk=000089491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089491

0 1
 S  -0.5954000      -3.419600     -0.1333000    
 O   -2.282400       1.876600      -1.960000    
 O   -4.591500     -0.1164000       1.624200    
 O   -5.262300      -1.708300      0.1652000    
 N   -2.682200      0.8257000      7.1500003E-02
 C    2.064000       1.384100      0.7423000    
 C    3.200900      0.9135000     -0.1690000    
 C   0.8220000       1.846300     -2.7799999E-02
 C    4.416200      0.3841000      0.6000000    
 C  -0.2893000       2.388400      0.8777000    
 C    5.524800     -0.1558000     -0.3062000    
 C   -1.483300       2.911500      7.9000004E-02
 C    6.713200     -0.6599000      0.5143000    
 C   -3.373500     -0.3273000     -0.4569000    
 C   -2.190100       1.840900     -0.7360000    
 C   -2.397800      -1.455300     -0.8198000    
 C    7.802700      -1.233600     -0.3776000    
 C   -1.734600      -2.106800      0.3958000    
 C   -4.486800     -0.8063000      0.4630000    
 C   0.8252000      -2.381800     -0.5464000    
 H    1.779900      0.5696000       1.419900    
 H    2.427700       2.206400       1.370400    
 H    3.515100       1.742600     -0.8147000    
 H    2.825400      0.1230000     -0.8303000    
 H    1.115900       2.626600     -0.7409000    
 H   0.4416000       1.004300     -0.6184000    
 H    4.088600     -0.4134000       1.278700    
 H    4.818400       1.188700       1.228100    
 H   0.1111000       3.213000       1.480200    
 H  -0.5963000       1.607700       1.582400    
 H    5.856900      0.6340000     -0.9906000    
 H    5.127400     -0.9718000     -0.9217000    
 H   -2.217600       3.352800      0.7636000    
 H   -1.162700       3.706500     -0.6042000    
 H    7.129200      0.1609000       1.110000    
 H    6.380300      -1.433900       1.215700    
 H   -3.875500      8.9999998E-04  -1.376400    
 H   -2.950100      -2.223500      -1.377900    
 H   -1.637300      -1.054000      -1.500700    
 H   -2.575200      0.8904000       1.079200    
 H    7.426500      -2.079500     -0.9619000    
 H    8.642500      -1.586500      0.2290000    
 H    8.179800     -0.4763000      -1.072400    
 H   -1.198500      -1.374300       1.007700    
 H   -2.490500      -2.575200       1.033800    
 H   -5.334700     -0.4395000       2.177000    
 H    1.655800      -3.021700     -0.8566000    
 H    1.145100      -1.806300      0.3261000    
 H   0.5917000      -1.704000      -1.370600    


%chk=000089491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089491

0 1
S -0.713759 -3.411840 0.188647
O -1.899672 1.472958 -1.890417
O -4.906070 -0.114912 1.517287
O -5.621404 -1.632834 -0.090915
N -2.930843 0.849507 0.090284
C 2.186223 1.361816 0.763174
C 3.335553 0.891577 -0.156450
C 0.954794 1.871222 -0.019114
C 4.561198 0.352922 0.615398
C -0.188378 2.348080 0.903722
C 5.712037 -0.104400 -0.308938
C -1.456041 2.821070 0.132224
C 6.935048 -0.654250 0.460236
C -3.595346 -0.302899 -0.531310
C -2.110389 1.684242 -0.654001
C -2.628116 -1.511964 -0.777079
C 8.081543 -1.103108 -0.471429
C -2.007948 -2.069348 0.513422
C -4.806903 -0.760792 0.269469
C 0.687392 -2.339571 -0.471355
H 1.881413 0.523631 1.426274
H 2.558215 2.164674 1.434039
H 3.651392 1.733947 -0.806486
H 2.957686 0.101186 -0.839277
H 1.257684 2.706214 -0.683499
H 0.585395 1.070576 -0.690005
H 4.246692 -0.497019 1.257145
H 4.935711 1.139197 1.304279
H 0.172738 3.191059 1.526251
H -0.462945 1.534224 1.606423
H 6.032820 0.747277 -0.944829
H 5.337289 -0.885238 -1.003913
H -2.180049 3.262543 0.844936
H -1.173782 3.601810 -0.595200
H 7.307113 0.124819 1.157022
H 6.614029 -1.507493 1.092380
H -3.956656 0.005101 -1.532871
H -3.190104 -2.305505 -1.300737
H -1.845601 -1.142247 -1.462046
H -3.152567 1.061126 1.065043
H 7.745442 -1.904416 -1.156467
H 8.943673 -1.489565 0.102858
H 8.439402 -0.260469 -1.092772
H -1.522891 -1.273470 1.106514
H -2.761596 -2.569043 1.147754
H -5.701432 -0.456977 2.007329
H 1.540620 -3.016746 -0.633509
H 0.962708 -1.572405 0.270971
H 0.408982 -1.866768 -1.425962


