%chk=000100619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100619

0 1
 S   -2.139100       1.512700      7.6000001E-03
 O   -2.745300       1.866100       1.274800    
 O   -2.730400       1.886100      -1.261000    
 N    1.555000      0.7338000      2.2800000E-02
 N  -0.5244000       1.849500      1.9800000E-02
 C    2.323500      0.7092000       1.265800    
 C    2.340200      0.8340000      -1.206000    
 C    3.326000     -0.4422000       1.234300    
 C    3.342900     -0.3154000      -1.277100    
 C    4.202100     -0.3817000     -1.5600000E-02
 C   0.2026000      0.7596000      1.5100000E-02
 C  -0.5755000     -0.4979000      3.9999999E-04
 C   -1.930300     -0.2103000     -4.6999999E-03
 C  -0.1396000      -1.809200     -8.5000005E-03
 C   -2.912200      -1.174500     -1.8300001E-02
 C   -1.111100      -2.817300     -2.2299999E-02
 C   -2.484400      -2.502500     -2.7100001E-02
 H    1.659900      0.5901000       2.130500    
 H    2.845200       1.665700       1.388700    
 H    2.862600       1.797700      -1.225400    
 H    1.687900      0.8021000      -2.086800    
 H    2.794000      -1.400200       1.258200    
 H    3.956800     -0.4064000       2.129600    
 H    3.984600     -0.1929000      -2.156700    
 H    2.808100      -1.264700      -1.400500    
 H    4.850600      0.5016000      3.3399999E-02
 H    4.855500      -1.260200     -5.5500001E-02
 H   0.9111000      -2.069400     -9.3999999E-03
 H   -3.965900     -0.9241000     -2.2299999E-02
 H  -0.8029000      -3.859700     -3.0600000E-02
 H   -3.216800      -3.305300     -3.8300000E-02


%chk=000100619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100619

0 1
S -2.165068 1.473164 -0.803059
O -2.752016 2.592572 0.210923
O -2.815690 1.343409 -2.284797
N 1.604987 0.306246 -0.169258
N -0.242481 1.601228 -0.822886
C 2.245677 -0.222233 1.068483
C 2.478056 1.250074 -0.920478
C 3.549157 -0.970994 0.729176
C 3.799981 0.548070 -1.295670
C 4.508569 -0.045343 -0.055724
C 0.230700 0.469161 -0.271083
C -0.733448 -0.616438 0.141224
C -2.084580 -0.254513 -0.006600
C -0.455922 -1.952401 0.522209
C -3.169222 -1.094741 0.248416
C -1.526846 -2.831407 0.805495
C -2.872868 -2.409049 0.689499
H 1.538437 -0.856196 1.622013
H 2.483533 0.641843 1.729151
H 2.673677 2.151817 -0.300654
H 1.928200 1.586844 -1.813512
H 3.312916 -1.867757 0.123349
H 4.023579 -1.315773 1.667387
H 4.457188 1.278349 -1.803881
H 3.581295 -0.259064 -2.021114
H 4.842008 0.778940 0.608032
H 5.415984 -0.599110 -0.359351
H 0.571366 -2.324113 0.562407
H -4.200471 -0.761450 0.099990
H -1.307860 -3.862004 1.103126
H -3.688141 -3.104829 0.912087


