%chk=000005707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005707

0 1
 S    2.742300      0.2476000      -1.476500    
 N   0.1748000      0.1277000      -1.029900    
 N    1.449800      4.9300000E-02  0.9144000    
 C    3.846500     -0.5859000      0.8865000    
 C   -1.094200      3.7900001E-02 -0.4584000    
 C    4.159600      0.2061000     -0.3649000    
 C    2.707300      6.6000000E-02   1.645900    
 C   -1.697300      -1.212700     -0.2445000    
 C   -1.796400       1.196100     -8.5600004E-02
 C    1.375800      0.1316000     -0.3696000    
 C   -2.967000      -1.302600      0.3259000    
 C   -3.066000       1.106100      0.4849000    
 C  -0.9887000      -2.472200     -0.6251000    
 C   -1.195200       2.548200     -0.2937000    
 C   -3.651300     -0.1433000      0.6907000    
 H    4.736600     -0.6119000       1.526000    
 H    3.602000      -1.626500      0.6390000    
 H    5.006400     -0.2414000     -0.8945000    
 H    4.437400       1.234700     -0.1110000    
 H    2.956700       1.097600       1.920500    
 H    2.558800     -0.4802000       2.584200    
 H   0.1789000      0.1909000      -2.043200    
 H   -3.437500      -2.267700      0.4942000    
 H   -3.613000       1.999000      0.7760000    
 H  -9.7900003E-02  -2.612000     -4.1000000E-03
 H  -0.6950000      -2.447000      -1.679800    
 H   -1.625200      -3.353800     -0.4906000    
 H  -0.9050000       2.685500      -1.340700    
 H   -1.901000       3.349500     -4.9100000E-02
 H  -0.3160000       2.677900      0.3459000    
 H   -4.639800     -0.2133000       1.135300    


%chk=000005707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005707

0 1
S 2.798406 -0.366444 -1.547422
N 0.164893 -0.180064 -1.001386
N 1.473762 0.415519 0.886087
C 3.961827 -0.159189 1.040584
C -1.144303 -0.141429 -0.402373
C 4.242286 0.166845 -0.434277
C 2.748169 0.620311 1.596681
C -1.925017 -1.336423 -0.438703
C -1.664572 1.068513 0.141444
C 1.378523 0.030393 -0.342352
C -3.234161 -1.309618 0.096521
C -2.973676 1.045907 0.684374
C -1.358021 -2.615315 -1.031211
C -0.866717 2.353886 0.121800
C -3.756205 -0.127874 0.666216
H 4.854596 0.106764 1.640395
H 3.796161 -1.247101 1.153122
H 5.110859 -0.389532 -0.821639
H 4.405309 1.246877 -0.587188
H 2.981352 1.706765 1.601728
H 2.581135 0.334281 2.651881
H 0.234797 -0.634814 -1.914930
H -3.838621 -2.224169 0.076351
H -3.383790 1.969805 1.109189
H -0.367711 -2.854008 -0.601515
H -1.227372 -2.547900 -2.130691
H -2.031563 -3.467128 -0.838432
H -0.377899 2.503406 -0.858665
H -1.510563 3.224636 0.333897
H -0.056953 2.308875 0.873279
H -4.768529 -0.120575 1.085434


