%chk=000134029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134029

0 1
 S   -2.396600     -0.2008000     -0.7968000    
 O   -2.421700      0.9121000      -1.733900    
 O   -3.026800      -1.463500      -1.153900    
 N    2.666800      0.9846000     -0.1073000    
 N    3.273200      -1.034200      0.5976000    
 N    4.934700      0.6955000      0.4389000    
 C  -0.7281000     -0.5045000     -0.3702000    
 C   -3.145500      0.3431000      0.7211000    
 C    1.520800      0.2315000     -0.1240000    
 C   0.2051000      0.5318000     -0.4785000    
 C    1.925600      -1.024400      0.3200000    
 C   -4.620300      0.6558000      0.5297000    
 C  -0.3521000      -1.775000      7.1900003E-02
 C   0.9747000      -2.053800      0.4224000    
 C    3.685400      0.1849000      0.3307000    
 C   -5.258300       1.139900       1.821100    
 C    2.763100       2.376900     -0.4886000    
 H   -2.601300       1.232600       1.054900    
 H   -3.011700     -0.4544000       1.459100    
 H  -7.8299999E-02   1.522600     -0.8131000    
 H   -4.746200       1.423500     -0.2426000    
 H   -5.152500     -0.2353000      0.1773000    
 H   -1.084100      -2.574000      0.1606000    
 H    1.256600      -3.043700      0.7665000    
 H   -6.318800       1.358500       1.661600    
 H   -5.182300      0.3797000       2.605000    
 H   -4.773400       2.053400       2.179700    
 H    3.115300       2.946600      0.3754000    
 H    3.469400       2.458200      -1.319100    
 H    1.791400       2.760500     -0.8027000    
 H    5.709200      0.1242000      0.7616000    
 H    5.167500       1.656500      0.2102000    


%chk=000134029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134029

0 1
S -2.414139 -0.091272 -0.788440
O -2.397653 1.277903 -1.698368
O -3.104708 -1.478000 -1.326473
N 2.807994 1.033722 -0.172611
N 3.377753 -1.043389 0.656943
N 5.129175 0.593724 0.404699
C -0.631910 -0.447516 -0.291087
C -3.326584 0.361847 0.868537
C 1.612785 0.284054 -0.128397
C 0.291952 0.597034 -0.481371
C 1.996144 -1.007147 0.389945
C -4.794504 0.656985 0.557652
C -0.310677 -1.738190 0.184387
C 1.026151 -2.024735 0.538868
C 3.819829 0.183705 0.308682
C -5.573058 1.000409 1.850039
C 2.975399 2.409182 -0.641543
H -2.765056 1.230220 1.250919
H -3.175999 -0.525742 1.505403
H -0.038367 1.550148 -0.908997
H -4.854604 1.498947 -0.156972
H -5.245782 -0.224924 0.065741
H -1.088375 -2.506960 0.239043
H 1.316941 -3.011768 0.908605
H -6.630703 1.212559 1.612323
H -5.549682 0.161580 2.570075
H -5.152874 1.892535 2.350274
H 3.345648 3.068599 0.166141
H 3.670251 2.458166 -1.501098
H 2.002208 2.798781 -0.976703
H 5.804548 -0.079843 0.754904
H 5.438697 1.518185 0.123482


