%chk=000002456.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002456

0 1
 S   4.1400000E-02   2.169800     -0.1291000    
 O  -0.5684000       3.284200      0.5871000    
 O   0.4984000       2.380300      -1.497300    
 N    1.342100       1.567400      0.8268000    
 C   -1.094600      0.8442000     -0.1168000    
 C   -2.067000      0.7690000      0.8805000    
 C   -1.030000     -0.1397000      -1.103500    
 C   -2.910100      -1.273900     -9.5399998E-02
 C    1.895900      0.2850000      0.4849000    
 C   -2.974700     -0.2902000      0.8912000    
 C   -1.937800      -1.198700      -1.092800    
 C    2.453000      9.0400003E-02 -0.7734000    
 C    1.868700     -0.7457000       1.416900    
 C   -3.880900      -2.406200     -8.4600002E-02
 C    2.990500      -1.153400      -1.104700    
 C    2.406300      -1.989300       1.085500    
 C    2.967300      -2.193100     -0.1753000    
 H    1.283300       1.755800       1.836200    
 H   -2.131900       1.519500       1.663100    
 H  -0.2895000     -9.8899998E-02  -1.896700    
 H   -3.727700     -0.3379000       1.673400    
 H   -1.879700      -1.957200      -1.869100    
 H    2.511400      0.8905000      -1.504000    
 H    1.432200     -0.5973000       2.400800    
 H   -3.433700      -3.313800     -0.5042000    
 H   -4.195800      -2.647200      0.9365000    
 H   -4.766700      -2.147100     -0.6729000    
 H    3.433300      -1.310400      -2.083900    
 H    2.387800      -2.799200       1.808900    
 H    3.387100      -3.161100     -0.4328000    


%chk=000002456-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002456

0 1
S 0.010408 2.127830 -0.167570
O -0.565974 3.376398 0.698727
O 0.538364 2.265731 -1.695040
N 1.549218 1.540955 0.869366
C -1.286272 0.750456 -0.140733
C -2.261552 0.784490 0.870053
C -1.227934 -0.247249 -1.127799
C -3.208200 -1.286331 -0.082279
C 2.120987 0.288076 0.517641
C -3.225451 -0.247077 0.886882
C -2.201287 -1.269807 -1.083970
C 2.772272 0.160676 -0.742726
C 2.105042 -0.815816 1.417713
C -4.267899 -2.372458 -0.068735
C 3.395481 -1.055587 -1.085971
C 2.767630 -2.014074 1.078176
C 3.405837 -2.143452 -0.178027
H 1.220465 1.612726 1.849346
H -2.281056 1.604501 1.595610
H -0.463332 -0.213756 -1.910094
H -4.003466 -0.242176 1.658892
H -2.178946 -2.062508 -1.840364
H 2.788090 1.019748 -1.419811
H 1.589904 -0.724209 2.382620
H -3.883684 -3.320349 -0.483478
H -4.636641 -2.568149 0.953028
H -5.140835 -2.075422 -0.681688
H 3.895425 -1.148786 -2.056360
H 2.773296 -2.850116 1.786291
H 3.910311 -3.078465 -0.444403


