%chk=000055428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055428

0 1
 S    3.721500      -1.342900      1.4500000E-02
 O    3.869900      -2.239500      -1.125800    
 O    4.311900      -1.708400       1.297200    
 O   -2.883700     -0.1060000      -1.423900    
 O   -7.812600      0.7426000     -0.9396000    
 O    3.614000       1.487200       1.518200    
 O   -7.156500      0.2559000       1.217900    
 O    5.569500       3.288900      0.4636000    
 N    4.269300      0.2480000     -0.3916000    
 N   -2.124500     -0.5170000      0.7599000    
 N    4.846100      0.1710000      -1.652600    
 C    2.006300      -1.100700      0.2331000    
 C  -0.7342000     -0.7136000      0.5826000    
 C    1.195000     -0.8245000     -0.8674000    
 C    1.447300      -1.183400       1.508400    
 C  -0.1751000     -0.6310000     -0.6927000    
 C   7.7100001E-02 -0.9899000       1.683200    
 C   -4.458500     -9.9299997E-02  0.4034000    
 C   -3.073500     -0.2353000     -0.2191000    
 C   -5.553400      0.2107000     -0.6141000    
 C    4.149800       1.424500      0.4213000    
 C    6.258700     -0.1750000      -1.570800    
 C   -6.911400      0.3978000      2.7899999E-02
 C    4.701500       2.691000     -0.1473000    
 C   -9.154400      0.9488000     -0.4862000    
 H    1.616400     -0.7540000      -1.866800    
 H    2.055700      -1.394600       2.382800    
 H  -0.7367000     -0.4202000      -1.591800    
 H  -0.3459000      -1.056300       2.682400    
 H   -4.693800      -1.033900      0.9277000    
 H   -4.416600      0.6968000       1.157400    
 H   -2.451000     -0.5938000       1.720900    
 H   -5.626300     -0.6073000      -1.339800    
 H   -5.301700       1.132000      -1.152600    
 H    4.731300       1.073500      -2.108900    
 H    6.421400      -1.153800      -1.108700    
 H    6.823300      0.5755000      -1.007400    
 H    6.678300     -0.2189000      -2.580800    
 H    4.254000       3.020000      -1.097700    
 H   -9.767800       1.216900      -1.350500    
 H   -9.188000       1.769600      0.2365000    
 H   -9.550900      2.8899999E-02 -4.5899998E-02


%chk=000055428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055428

0 1
S 3.611711 -1.330000 -0.311517
O 3.817683 -1.700193 -1.903018
O 4.145273 -2.361369 0.840810
O -3.254517 -0.269689 -1.499476
O -8.293521 -0.125004 -0.544345
O 4.109708 1.003632 1.710847
O -7.208000 1.610782 0.565407
O 6.590813 2.816040 -0.076021
N 4.630222 0.605537 -0.527584
N -2.301788 -0.294044 0.646379
N 5.471214 0.596534 -1.578946
C 1.786117 -0.994126 -0.042392
C -0.930825 -0.530782 0.362224
C 0.938018 -0.949674 -1.160226
C 1.334662 -0.812478 1.276492
C -0.438070 -0.717537 -0.959507
C -0.038178 -0.581684 1.471385
C -4.704782 0.171222 0.438355
C -3.372670 -0.161157 -0.244425
C -5.903713 -0.242697 -0.431611
C 4.757116 1.299912 0.660050
C 6.806812 -0.042358 -1.486501
C -7.159091 0.526720 -0.062639
C 5.634041 2.568678 0.685968
C -9.585764 0.564709 -0.302388
H 1.342764 -1.113683 -2.163958
H 2.034625 -0.842457 2.116123
H -1.131645 -0.681818 -1.800802
H -0.417910 -0.434565 2.489890
H -4.764901 -0.295914 1.439976
H -4.753588 1.266809 0.602033
H -2.532618 -0.189042 1.637788
H -6.106680 -1.325682 -0.378343
H -5.658669 -0.030789 -1.491486
H 4.969870 0.462859 -2.466546
H 6.712827 -1.131105 -1.312174
H 7.382960 0.428317 -0.676262
H 7.332360 0.130941 -2.439119
H 5.331224 3.234498 1.527488
H -10.342205 -0.094734 -0.749476
H -9.584890 1.555913 -0.785849
H -9.754194 0.689774 0.780298


