%chk=000128652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128652

0 1
 S    3.214500      -1.637500      0.4752000    
 O  -9.6400000E-02   1.954900      0.6088000    
 O    4.185800       1.555000      -1.266900    
 O    5.027700       1.634700      0.8368000    
 N    1.731400       1.099100     -0.5437000    
 C   -1.518900      0.4320000      -1.624000    
 C   -1.109100     -0.9716000      -1.201200    
 C   -2.482900      0.8168000     -0.5107000    
 C   -1.748300      -1.328300      7.7000000E-03
 C   -2.591200     -0.2311000      0.4312000    
 C  -0.3336000       1.383200      -1.729600    
 C  -0.2316000      -1.837600      -1.833100    
 C   -3.181200       2.002600     -0.3504000    
 C   -1.518300      -2.564800      0.5887000    
 C   -3.411100     -0.1003000       1.540400    
 C   0.4156000       1.520600     -0.4196000    
 C  -9.9999997E-05  -3.083400      -1.247200    
 C   -4.007600       2.133800      0.7672000    
 C  -0.6379000      -3.444000     -4.8700001E-02
 C   -4.121900       1.092300       1.703000    
 C    2.674900       1.123200      0.5505000    
 C    2.627300     -0.1647000       1.376300    
 C    4.081000       1.456800      7.9999998E-02
 C    3.032000      -2.841500       1.809300    
 H   -2.068900      0.3757000      -2.570900    
 H  -0.6734000       2.389300      -2.006000    
 H   0.3360000       1.056300      -2.533800    
 H   0.2638000      -1.563000      -2.757800    
 H   -3.095800       2.809000      -1.070200    
 H   -2.000900      -2.856400       1.515500    
 H   -3.507900     -0.8946000       2.273000    
 H   0.6827000      -3.783200      -1.721800    
 H   -4.569000       3.052200      0.9169000    
 H  -0.4405000      -4.418800      0.3897000    
 H   -4.771200       1.217600       2.565700    
 H    2.057400      0.7285000      -1.431400    
 H    2.378400       1.956700       1.200500    
 H    1.601700     -0.3549000       1.711800    
 H    3.257800     -4.7400001E-02   2.264600    
 H    3.668900      -2.572900       2.656000    
 H    3.333500      -3.828100       1.447600    
 H    1.989900      -2.895800       2.134900    
 H    5.098800       1.777300      -1.548500    


%chk=000128652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128652

0 1
S 3.252212 -1.447576 0.855973
O 0.604229 3.020884 -0.606130
O 3.901489 1.623675 -1.224821
O 4.622761 2.223448 0.899197
N 1.438048 0.866856 -0.394106
C -1.432430 0.329841 -1.660189
C -1.011665 -1.101596 -1.317527
C -2.208439 0.749554 -0.409357
C -1.556467 -1.488321 -0.054982
C -2.291476 -0.340052 0.509602
C -0.295862 1.302942 -2.108915
C -0.252618 -2.009449 -2.076369
C -2.806335 1.984897 -0.107213
C -1.352188 -2.794391 0.442485
C -2.989714 -0.200756 1.729423
C 0.610896 1.807110 -0.983220
C -0.037512 -3.317688 -1.571406
C -3.502036 2.126513 1.119674
C -0.589253 -3.706555 -0.325640
C -3.596621 1.041524 2.026945
C 2.369654 1.251623 0.657299
C 2.570842 0.123004 1.691572
C 3.738507 1.751844 0.152852
C 2.416550 -2.737524 1.943716
H -2.138597 0.279923 -2.517710
H -0.747463 2.204179 -2.555854
H 0.309339 0.809455 -2.894154
H 0.163618 -1.723767 -3.050067
H -2.723609 2.834929 -0.792705
H -1.782598 -3.105246 1.401431
H -3.063533 -1.034923 2.436539
H 0.554851 -4.034176 -2.150902
H -3.966064 3.086133 1.372646
H -0.424881 -4.725214 0.043830
H -4.140835 1.170644 2.969251
H 1.483842 -0.098479 -0.736715
H 1.931809 2.126328 1.178625
H 1.597316 -0.136618 2.139397
H 3.279478 0.448011 2.468897
H 2.709836 -2.595449 2.995609
H 2.775029 -3.717460 1.592176
H 1.323811 -2.678399 1.824251
H 4.797480 1.978023 -1.477606


