%chk=000021731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021731

0 1
 S   -3.135200      -2.359500     -0.5187000    
 N  -0.2757000       2.725600      0.3894000    
 N    4.080400      -1.121900     -0.2807000    
 C   0.9827000       1.075500     -0.3986000    
 C  -0.3459000      0.5887000     -0.2478000    
 C    2.147200      0.3137000     -0.8940000    
 C   -1.115100       1.643600      0.2480000    
 C   0.9941000       2.392000      1.4000000E-03
 C    2.919300     -0.4011000      0.2300000    
 C  -0.9698000     -0.6519000     -0.4863000    
 C   -2.482500       1.519200      0.5181000    
 C   -2.336800     -0.7911000     -0.2204000    
 C   -3.079600      0.2791000      0.2740000    
 C    4.818600      -1.751300      0.8048000    
 C   -2.201700      -3.460700      0.5807000    
 H    1.822100     -0.4231000      -1.639700    
 H    2.826900      0.9957000      -1.422500    
 H    2.243300      -1.100700      0.7380000    
 H    3.236800      0.3418000      0.9735000    
 H    1.790500       3.122000      4.5699999E-02
 H  -0.5570000       3.634300      0.7307000    
 H  -0.3858000      -1.480600     -0.8779000    
 H   -3.061500       2.351800      0.9032000    
 H   -4.142400      0.1686000      0.4804000    
 H    4.693500     -0.4747000     -0.7754000    
 H    4.196600      -2.476300       1.339800    
 H    5.198300      -1.010600       1.516100    
 H    5.676300      -2.293900      0.3951000    
 H   -2.659400      -4.453300      0.5653000    
 H   -2.223000      -3.082100       1.606200    
 H   -1.164600      -3.552900      0.2484000    


%chk=000021731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021731

0 1
S -2.702821 -2.640997 -0.714652
N -0.421729 2.822246 0.388378
N 4.171000 -0.997108 -0.342809
C 1.084047 1.285695 -0.403226
C -0.218521 0.648178 -0.276791
C 2.362587 0.630795 -0.863614
C -1.141745 1.635481 0.222268
C 0.914762 2.606738 0.009926
C 2.971539 -0.324953 0.194570
C -0.693441 -0.661819 -0.552133
C -2.505884 1.346477 0.450730
C -2.051488 -0.954423 -0.322406
C -2.950507 0.039024 0.171860
C 4.788527 -1.977531 0.568652
C -2.550082 -3.440617 0.995812
H 2.192529 0.042045 -1.785533
H 3.112048 1.407733 -1.117085
H 2.229567 -1.104398 0.455445
H 3.168997 0.251567 1.134170
H 1.647106 3.411018 0.059581
H -0.805940 3.705341 0.715824
H -0.026698 -1.435578 -0.946759
H -3.203438 2.105141 0.822583
H -4.002591 -0.226222 0.318766
H 4.855332 -0.316830 -0.700404
H 4.077834 -2.804338 0.755074
H 5.085704 -1.562598 1.563874
H 5.686803 -2.412851 0.095524
H -2.929589 -4.470032 0.894148
H -3.158431 -2.885443 1.726282
H -1.494877 -3.455844 1.308745


