%chk=000019289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019289

0 1
 S  -0.4244000      -1.190200     -0.1726000    
 O   -4.497800       1.120200      0.1584000    
 N   -3.007300     -0.6962000     -0.1043000    
 N  -7.9300001E-02   1.322000      0.1940000    
 N   -1.450100       1.133700      0.1647000    
 N    4.786000     -0.2486000     -3.1099999E-02
 C    2.005900      4.0399998E-02  7.4000000E-03
 C   0.5718000      0.1908000      3.0200001E-02
 C   -1.764700     -0.1306000     -2.0099999E-02
 C    2.818600       1.139600     -0.2470000    
 C    2.581700      -1.203200      0.2426000    
 C   -4.278900     -7.4199997E-02 -1.5400000E-02
 C    4.190200      0.9441000     -0.2551000    
 C    3.964000      -1.294000      0.2127000    
 C   -5.415800      -1.054000     -0.1644000    
 H    2.413600       2.128100     -0.4381000    
 H    2.023700      -2.103800      0.4713000    
 H   -2.997700      -1.702500     -0.2525000    
 H    4.867700       1.769100     -0.4492000    
 H    4.463300      -2.239900      0.3955000    
 H   -5.420500      -1.455500      -1.181400    
 H   -6.367400     -0.5507000      2.7700000E-02
 H   -5.298200      -1.872800      0.5508000    


%chk=000019289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019289

0 1
S -0.436685 -1.498760 0.067401
O -4.394012 1.217876 -0.214613
N -3.142190 -0.777616 -0.039876
N -0.082446 1.145101 -0.152597
N -1.466710 0.986010 -0.162430
N 4.944050 -0.082979 0.046469
C 2.082725 -0.042742 -0.011658
C 0.619189 0.016234 -0.043780
C -1.839508 -0.290436 -0.059558
C 2.836265 1.162146 -0.093937
C 2.798134 -1.264150 0.099993
C -4.357992 -0.026625 -0.121292
C 4.242895 1.088708 -0.060728
C 4.209090 -1.232395 0.124287
C -5.590885 -0.928118 -0.093304
H 2.319057 2.121340 -0.180764
H 2.275698 -2.224932 0.167343
H -3.245838 -1.791412 0.039263
H 4.848217 1.999641 -0.121782
H 4.784605 -2.160806 0.209534
H -5.652665 -1.537283 -1.014380
H -6.486579 -0.293928 -0.033994
H -5.580015 -1.613073 0.774500


