%chk=000178427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178427

0 1
 S    2.987400      -1.359900      0.1985000    
 O    1.858000       2.894500     -0.4575000    
 O   -1.214700      0.8396000      -1.913400    
 O   -2.504700      -4.795400      -1.022500    
 O   -1.083200      -3.723600      -2.306800    
 N    3.485400       1.280500     -0.1382000    
 N  -0.1319000       1.241100      9.7199999E-02
 N    5.314900     -7.9700001E-02  9.6100003E-02
 N   -1.593400      -3.947800      -1.182500    
 C    1.116100      0.5999000     -0.2545000    
 C    1.448800     -0.5301000      0.7303000    
 C    2.160600       1.714900     -0.2658000    
 C    4.589700       2.197500     -0.1778000    
 C    4.023900      1.2700000E-02  4.7300000E-02
 C   0.3458000      -1.561800      0.8967000    
 C    5.812200       1.301600     -9.4899997E-02
 C  -0.1122000      -2.273500     -0.2099000    
 C  -0.2046000      -1.791800       2.155700    
 C   -1.204400       1.305600     -0.7770000    
 C   -1.125400      -3.219800     -5.6899998E-02
 C   -1.217900      -2.738000       2.308900    
 C   -1.678200      -3.452100       1.202500    
 C   -2.405700       2.021300     -0.2751000    
 C   -3.254200       2.617600      -1.184600    
 C   -2.633700       2.067000       1.084500    
 C   -4.381900       3.289900     -0.7131000    
 C   -3.761400       2.739200       1.555900    
 C   -4.635400       3.350700      0.6570000    
 H    1.049800      0.2208000      -1.282100    
 H    1.664000     -8.8200003E-02   1.712700    
 H    4.518500       2.883300      0.6733000    
 H    4.559100       2.787700      -1.099400    
 H    6.402400       1.353600      -1.015900    
 H    6.458400       1.588200      0.7412000    
 H  -0.1590000       1.726000      0.9879000    
 H   0.3240000      -2.079500      -1.186700    
 H   0.1425000      -1.242400       3.026500    
 H   -1.648500      -2.918200       3.289600    
 H   -2.468900      -4.181300       1.359600    
 H   -3.068400       2.583800      -2.253900    
 H   -1.999500       1.574300       1.814000    
 H   -5.062100       3.766700      -1.412800    
 H   -3.964000       2.779700       2.622200    
 H   -5.514300       3.872600       1.024000    


%chk=000178427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178427

0 1
S 3.009520 -1.449321 0.039109
O 2.016421 2.989399 0.269198
O -1.303432 0.214156 -1.314759
O -2.571099 -4.721149 -1.350660
O -0.898032 -3.727024 -2.537939
N 3.590099 1.318847 -0.001947
N -0.088562 1.361567 0.302854
N 5.398400 -0.113358 -0.223623
N -1.557625 -3.926092 -1.448032
C 1.162757 0.704545 -0.074035
C 1.466424 -0.563969 0.785111
C 2.284063 1.762194 0.077787
C 4.754599 2.256985 0.002136
C 4.106033 -0.018111 -0.079492
C 0.349651 -1.589174 0.835730
C 5.941858 1.285319 -0.314221
C -0.073873 -2.273410 -0.328058
C -0.292050 -1.860832 2.069467
C -1.262476 1.103541 -0.406034
C -1.123383 -3.204018 -0.223688
C -1.353774 -2.791949 2.148047
C -1.782695 -3.476418 0.994860
C -2.460526 1.933558 -0.040849
C -3.544415 1.955256 -0.956076
C -2.555271 2.670415 1.169302
C -4.696566 2.717915 -0.676990
C -3.711271 3.430798 1.448687
C -4.781647 3.461147 0.524579
H 1.086527 0.387276 -1.135327
H 1.740064 -0.260030 1.810347
H 4.840323 2.741633 0.990057
H 4.601077 3.041380 -0.755935
H 6.349478 1.443000 -1.328884
H 6.771818 1.391605 0.403684
H 0.032452 2.277028 0.753329
H 0.385239 -2.097084 -1.303758
H 0.036903 -1.336808 2.974330
H -1.841462 -2.984150 3.108760
H -2.598431 -4.203411 1.016532
H -3.458365 1.363652 -1.873306
H -1.750184 2.632793 1.912307
H -5.526704 2.733525 -1.391295
H -3.780638 3.992692 2.386402
H -5.677321 4.053280 0.742595


