%chk=000054853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054853

0 1
 S    1.179300     -0.8237000      -2.122500    
 O   0.9500000     -7.9800002E-02   1.099600    
 N   -4.759800     -0.8830000      0.6525000    
 C  -0.3399000     -4.2100001E-02  -1.461100    
 C   -1.237000      -1.064000     -0.7593000    
 C   -2.582800     -0.4504000     -0.3874000    
 C  -4.7300000E-02   1.202200     -0.6636000    
 C   -3.484400      -1.485700      0.2829000    
 C   0.6082000       1.138500      0.5694000    
 C    2.314500     -0.9806000     -0.7420000    
 C  -0.4109000       2.464800      -1.154000    
 C    2.111800     -0.6189000      0.5982000    
 C   0.8678000       2.287900       1.319100    
 C  -0.1397000       3.621400     -0.4187000    
 C   -5.616100      -1.861200       1.325400    
 C   -5.436300     -0.3433000     -0.5283000    
 C   0.4967000       3.532500      0.8180000    
 C    3.556700      -1.554200      -1.079300    
 C    3.101700     -0.8593000       1.564900    
 C    4.548600      -1.772800     -0.1195000    
 C    4.319000      -1.428300       1.205500    
 H  -0.8774000      0.2633000      -2.368500    
 H   -1.417800      -1.911300      -1.435100    
 H  -0.7703000      -1.486400      0.1364000    
 H   -2.447400      0.3991000      0.2923000    
 H   -3.027200     -6.9100000E-02  -1.312800    
 H   -3.629200      -2.344600     -0.3858000    
 H   -2.980900      -1.857600       1.184300    
 H  -0.9130000       2.559500      -2.113900    
 H    1.357700       2.218600       2.286100    
 H  -0.4296000       4.592100     -0.8107000    
 H   -5.865400      -2.708500      0.6763000    
 H   -5.124900      -2.248400       2.225200    
 H   -6.549800      -1.393200       1.657000    
 H   -4.960800      0.5742000     -0.8885000    
 H   -5.496400      -1.069400      -1.347300    
 H   -6.461400     -4.4500001E-02 -0.2763000    
 H   0.7002000       4.432500       1.390700    
 H    3.773500      -1.849000      -2.105400    
 H    2.925500     -0.5953000       2.605200    
 H    5.495400      -2.218300     -0.4103000    
 H    5.083000      -1.603600       1.956700    


%chk=000054853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054853

0 1
S 1.444889 -0.311512 -2.225515
O 1.130352 0.368234 1.108284
N -4.627052 -1.089048 0.610541
C -0.234580 0.331491 -1.547164
C -1.042152 -0.787203 -0.851116
C -2.481824 -0.338991 -0.501452
C -0.003357 1.591237 -0.744336
C -3.290231 -1.498759 0.117191
C 0.704299 1.574485 0.485785
C 2.309480 -0.935979 -0.731456
C -0.476427 2.842739 -1.210683
C 2.120310 -0.524161 0.615568
C 0.904022 2.749480 1.238340
C -0.276269 4.031375 -0.474175
C -5.228075 -2.117419 1.485014
C -5.550907 -0.686278 -0.468334
C 0.413355 3.983554 0.758342
C 3.308608 -1.911690 -0.998098
C 2.897286 -1.098867 1.650336
C 4.096733 -2.466172 0.029191
C 3.883793 -2.062446 1.368206
H -0.740385 0.597763 -2.494363
H -1.075277 -1.657442 -1.535465
H -0.523052 -1.113452 0.066983
H -2.462955 0.497849 0.221107
H -2.980294 0.032453 -1.419580
H -3.364249 -2.336747 -0.628722
H -2.724780 -1.892777 0.984313
H -1.013596 2.879349 -2.166163
H 1.441084 2.677463 2.188987
H -0.657153 4.983802 -0.857556
H -5.442870 -3.082971 0.957808
H -4.547037 -2.333065 2.327552
H -6.179250 -1.740718 1.902681
H -5.144822 0.177349 -1.021346
H -5.752970 -1.507963 -1.204520
H -6.516144 -0.378109 -0.028261
H 0.572632 4.897008 1.341166
H 3.451630 -2.240996 -2.033604
H 2.704347 -0.758441 2.672270
H 4.857834 -3.214648 -0.214175
H 4.478954 -2.489680 2.181821


