%chk=000027141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027141

0 1
 S    2.370000      -1.074800      -1.749500    
 O   0.8396000       2.410500       1.432400    
 N    5.864700      -1.989800      8.5199997E-02
 C    1.376700       2.341000      0.1007000    
 C   0.4326000       1.562800     -0.7951000    
 C   0.1940000      0.1057000     -0.3357000    
 C    1.589300       3.777300     -0.3452000    
 C    1.961700       4.443700      0.9554000    
 C  -0.8376000     -0.6082000      -1.254900    
 C    1.055800       3.735600       1.940300    
 C    1.490600     -0.7231000     -0.1947000    
 C   -2.262400     -0.2200000      -1.005400    
 C   -3.071200     -0.9072000     -8.5500002E-02
 C   -2.766700      0.8621000      -1.727400    
 C    3.712600      -2.071900      -1.066000    
 C   -4.410200     -0.4907000      0.1047000    
 C   -4.083500       1.271900      -1.540100    
 C   -2.580300      -1.998500      0.6498000    
 C    4.785600      -1.173700     -0.4631000    
 C   -4.901100      0.6008000     -0.6303000    
 C   -5.219100      -1.177600       1.024500    
 C   -3.398200      -2.669600       1.559200    
 C   -4.715100      -2.259900       1.746300    
 C    7.091700      -1.202500      0.2102000    
 C    5.480700      -2.543600       1.384200    
 H    2.355500       1.854100      0.1677000    
 H   0.8058000       1.578700      -1.826000    
 H  -0.5289000       2.087600     -0.7959000    
 H  -0.2395000      0.1494000      0.6737000    
 H   0.6591000       4.214300     -0.7282000    
 H    2.356700       3.873800      -1.118300    
 H    3.011000       4.233400       1.193800    
 H    1.822600       5.527800      0.9507000    
 H  -0.5940000     -0.3885000      -2.304800    
 H  -0.7247000      -1.696800      -1.200600    
 H   8.0300003E-02   4.228800       2.006900    
 H    1.488000       3.679900       2.943400    
 H    1.221700      -1.690500      0.2469000    
 H    2.168700     -0.2445000      0.5153000    
 H   -2.150700       1.392700      -2.448800    
 H    3.291800      -2.782700     -0.3495000    
 H    4.139200      -2.659600      -1.886900    
 H   -4.476300       2.113100      -2.103900    
 H   -1.558200      -2.353800      0.5627000    
 H    4.386700     -0.4922000      0.2980000    
 H    5.179700     -0.5419000      -1.271500    
 H   -5.927400      0.9380000     -0.5004000    
 H   -6.251400     -0.8746000       1.187100    
 H   -3.005800      -3.509600       2.125100    
 H   -5.350900      -2.782000       2.455500    
 H    6.963200     -0.3401000      0.8745000    
 H    7.907900      -1.820500      0.6009000    
 H    7.420000     -0.8389000     -0.7701000    
 H    6.296200      -3.152200       1.792400    
 H    5.245100      -1.762000       2.115900    
 H    4.619500      -3.213500       1.304800    


%chk=000027141-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027141

0 1
S 2.659143 -0.319228 -1.641951
O 0.864156 2.301241 1.692100
N 6.167543 -2.187165 -0.269723
C 1.114226 2.475830 0.221456
C 0.203561 1.522992 -0.567907
C 0.272476 0.046543 -0.095813
C 0.886384 3.979180 -0.063276
C 1.225110 4.652230 1.291061
C -0.600359 -0.890777 -0.991665
C 0.655604 3.636501 2.302680
C 1.717657 -0.488752 0.010459
C -2.068485 -0.501701 -1.085294
C -2.993719 -0.758342 -0.000657
C -2.548866 0.123605 -2.245205
C 3.994239 -1.634034 -1.383394
C -4.380028 -0.346097 -0.133818
C -3.913050 0.527914 -2.377269
C -2.600885 -1.419439 1.212971
C 5.109119 -1.161121 -0.431605
C -4.814173 0.301227 -1.337346
C -5.297018 -0.599729 0.940105
C -3.516910 -1.656969 2.240668
C -4.878548 -1.240401 2.107345
C 7.462797 -1.609636 0.144568
C 5.764569 -3.309378 0.601997
H 2.177893 2.213716 0.045638
H 0.484645 1.584929 -1.640637
H -0.842849 1.871916 -0.485171
H -0.125400 0.031140 0.939264
H -0.173706 4.160132 -0.325297
H 1.515116 4.345182 -0.892699
H 2.320231 4.743836 1.410690
H 0.776420 5.655114 1.396972
H -0.157627 -0.899400 -2.005239
H -0.500910 -1.924033 -0.601958
H -0.429746 3.800904 2.466184
H 1.172734 3.643651 3.278085
H 1.713826 -1.566241 0.260224
H 2.275499 0.057593 0.787875
H -1.855451 0.307055 -3.074729
H 3.493078 -2.548876 -1.022192
H 4.411367 -1.838357 -2.383189
H -4.244540 1.014418 -3.301352
H -1.564631 -1.750407 1.333645
H 4.663702 -0.858388 0.550715
H 5.569430 -0.254853 -0.865673
H -5.863099 0.608160 -1.427753
H -6.340591 -0.281925 0.825239
H -3.193822 -2.165329 3.155972
H -5.587932 -1.429608 2.920620
H 7.440552 -1.144925 1.163465
H 8.235370 -2.399959 0.150834
H 7.774761 -0.835319 -0.578394
H 6.562403 -4.073266 0.613604
H 5.570479 -2.993878 1.659651
H 4.849354 -3.789479 0.215519


