%chk=000151172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151172

0 1
 S   -1.653400       1.985000     -9.4800003E-02
 O   -2.574800       2.054500       1.028700    
 O  -0.5926000       2.972600     -0.2258000    
 O    3.000800      -2.244900     -0.5809000    
 N    3.180500      5.7599999E-02 -0.7165000    
 N    4.421200       1.852300      0.3019000    
 N    3.542000      0.1804000       1.580600    
 C   -3.193100     -0.6584000      0.3110000    
 C   -1.718500     -0.7529000      9.0599999E-02
 C  -0.9387000      0.3874000     -0.1020000    
 C   -1.123600      -2.014600      7.9400003E-02
 C   -3.616000      -1.201200       1.688100    
 C   -3.998100      -1.358800     -0.7987000    
 C   0.4358000      0.2661000     -0.3058000    
 C    1.030600     -0.9955000     -0.3172000    
 C   0.2509000      -2.135900     -0.1247000    
 C   -2.608200       2.043900      -1.593000    
 C    2.463600      -1.122300     -0.5314000    
 C    3.691700      0.6847000      0.3104000    
 H   -3.593500      0.3456000      0.2866000    
 H   -1.708700      -2.918200      0.2264000    
 H   -3.080500     -0.6832000       2.491500    
 H   -4.689300      -1.049300       1.848800    
 H   -3.417200      -2.273600       1.787700    
 H   -3.846100      -2.443700     -0.7901000    
 H   -5.071100      -1.177600     -0.6699000    
 H   -3.711100     -0.9918000      -1.790000    
 H    1.028700       1.160400     -0.4665000    
 H   0.6903000      -3.129900     -0.1288000    
 H   -3.455200       1.364700      -1.562300    
 H   -2.979700       3.066000      -1.704100    
 H   -1.954100       1.806700      -2.434900    
 H    4.618300       2.339800     -0.5653000    
 H    4.778000       2.260800       1.158700    
 H    3.042800     -0.6800000       1.775300    
 H    3.936500      0.6635000       2.380700    


%chk=000151172-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151172

0 1
S -2.085089 2.172733 -0.114848
O -3.424495 2.313703 0.819800
O -0.883245 3.278580 0.002126
O 2.959269 -1.848914 0.600603
N 2.928117 0.530657 0.373540
N 4.766732 1.937957 0.399280
N 5.136508 -0.393617 0.637132
C -3.571081 -0.811765 0.133585
C -2.040624 -0.743484 0.187859
C -1.273721 0.443117 0.096046
C -1.282205 -1.938380 0.354304
C -4.140428 -1.329328 1.482873
C -4.053518 -1.687995 -1.053224
C 0.124886 0.498517 0.181121
C 0.841286 -0.709395 0.349740
C 0.122028 -1.928185 0.430795
C -2.663109 2.208684 -1.942051
C 2.338004 -0.718413 0.450574
C 4.273463 0.656300 0.472592
H -3.973917 0.209189 0.006416
H -1.817404 -2.891404 0.429733
H -3.843413 -0.664315 2.311862
H -5.244626 -1.354003 1.441395
H -3.783832 -2.351324 1.709241
H -3.729609 -2.739104 -0.941057
H -5.157709 -1.680946 -1.103322
H -3.661664 -1.319627 -2.019762
H 0.662239 1.450934 0.133969
H 0.692490 -2.853364 0.562060
H -3.403658 1.407639 -2.070987
H -3.103369 3.207115 -2.073076
H -1.765538 2.064990 -2.558813
H 4.080769 2.682228 0.289891
H 5.756772 2.159238 0.462855
H 4.662919 -1.319820 0.684017
H 6.144971 -0.277999 0.717430


