%chk=000128045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128045

0 1
 S    1.939000      -1.842800      0.2420000    
 O   -1.720800       1.738900     -2.0000001E-03
 N   0.9548000       1.091200      0.2544000    
 N  -0.7041000      -2.227000      4.0700000E-02
 N   -2.353800     -0.4802000     -8.2400002E-02
 N    3.165000       1.836700      0.1250000    
 C  -1.0600000E-02  8.3200000E-02  0.1106000    
 C    2.694900     -0.4487000     -0.6180000    
 C   0.2565000      -1.279500      0.1230000    
 C    2.207200      0.8644000     -3.6100000E-02
 C   -1.351300      0.4182000      1.0300000E-02
 C   -1.964400      -1.766400     -6.0400002E-02
 C   -3.112400       2.012100     -0.1072000    
 H    2.435600     -0.4778000      -1.681700    
 H    3.782600     -0.5282000     -0.5304000    
 H   -2.747600      -2.511100     -0.1305000    
 H    2.921500       2.750700      0.4912000    
 H    4.137700       1.681600     -0.1177000    
 H   -3.242700       3.098400     -0.1023000    
 H   -3.659800       1.604600      0.7494000    
 H   -3.518900       1.629400      -1.049400    


%chk=000128045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128045

0 1
S 2.005477 -1.910742 0.080972
O -1.716514 1.750472 -0.140240
N 0.972227 1.094464 0.237981
N -0.696782 -2.271266 0.112402
N -2.365896 -0.517096 -0.001649
N 3.184767 1.811265 0.295197
C 0.014321 0.089462 0.057219
C 2.730928 -0.380817 -0.769828
C 0.272269 -1.314924 0.067976
C 2.240592 0.865875 -0.045106
C -1.384206 0.419552 -0.027993
C -1.978053 -1.822666 0.094359
C -3.161874 2.069937 -0.189936
H 2.388829 -0.377314 -1.818387
H 3.824378 -0.503191 -0.738222
H -2.770256 -2.573511 0.154721
H 2.868347 2.651872 0.777874
H 4.171506 1.687543 0.088459
H -3.189870 3.166279 -0.268468
H -3.667163 1.719907 0.725611
H -3.634626 1.592600 -1.064443


