%chk=000131964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131964

0 1
 S   -4.134100     -9.9399999E-02  0.4143000    
 O   -2.176900      0.4636000       2.082200    
 O    3.770600       1.516200     -2.8300000E-02
 O    1.736300       2.342500     -0.1578000    
 N   -1.725800      0.5296000     -0.2214000    
 N    2.526600       1.373400     -7.5000003E-02
 C   -2.419600      0.4413000      -1.492200    
 C  -0.3495000      0.9826000     -0.1821000    
 C   -3.637000     -0.4383000      -1.294900    
 C   0.6163000     -0.1628000     -8.3400004E-02
 C   -2.500500      0.3476000      0.9098000    
 C    1.989200      5.7300001E-02 -3.3100002E-02
 C   0.1070000      -1.457300     -4.3200001E-02
 C    2.861500      -1.027300      5.8200002E-02
 C   0.9794000      -2.542000      4.8099998E-02
 C    2.356600      -2.327100      9.8800004E-02
 H   -1.757200      2.6400000E-02  -2.259200    
 H   -2.705600       1.457200      -1.789900    
 H  -0.2700000       1.611300      0.7123000    
 H  -0.1947000       1.565800      -1.096400    
 H   -4.434300     -0.2161000      -2.008500    
 H   -3.370500      -1.497100      -1.374100    
 H  -0.9490000      -1.697700     -8.4899999E-02
 H    3.940500     -0.9026000      9.9699996E-02
 H   0.5873000      -3.554500      7.8299999E-02
 H    3.035300      -3.172000      0.1695000    


%chk=000131964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131964

0 1
S -4.467607 0.091678 0.090224
O -2.646682 0.800070 2.078719
O 3.724915 1.499987 -0.783611
O 1.874470 2.389821 0.200038
N -1.819320 0.490680 -0.110121
N 2.557032 1.383818 -0.245956
C -2.258755 0.353916 -1.513206
C -0.455150 0.949648 0.193910
C -3.584579 -0.433338 -1.502866
C 0.582167 -0.175285 0.102367
C -2.807397 0.527574 0.870094
C 1.975574 0.023596 -0.119341
C 0.154915 -1.520243 0.242799
C 2.891307 -1.051810 -0.217695
C 1.056400 -2.602386 0.172233
C 2.431744 -2.371306 -0.066552
H -1.489943 -0.184675 -2.095667
H -2.401100 1.358087 -1.963773
H -0.463739 1.364361 1.219168
H -0.188627 1.788475 -0.472962
H -4.220985 -0.177004 -2.361615
H -3.420008 -1.521134 -1.462119
H -0.909128 -1.705853 0.419228
H 3.944486 -0.826580 -0.404542
H 0.686264 -3.624539 0.304873
H 3.135643 -3.206955 -0.126828


