%chk=000114038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114038

0 1
 S    1.751200      1.1900000E-02  -1.339800    
 N   -5.919500     -1.4200000E-02 -0.3107000    
 C  -0.8164000      2.0700000E-02 -0.3402000    
 C   -1.791900      1.3300000E-02  0.8440000    
 C   0.6465000      1.3100000E-02  0.1025000    
 C   -3.244100      3.7000000E-03  0.4379000    
 C   -3.908000       1.201800      0.2550000    
 C   -3.891600      -1.203200      0.2538000    
 C    3.358600      2.6000000E-03 -0.5541000    
 C   -5.240900       1.139100     -0.1182000    
 C   -5.225300      -1.158300     -0.1193000    
 C    3.973600      -1.209000     -0.2540000    
 C    3.984600       1.207100     -0.2478000    
 C    5.226800      -1.216200      0.3586000    
 C    5.237800       1.199700      0.3645000    
 C    5.858800     -1.2000000E-02  0.6677000    
 H   -1.012900      0.9066000     -0.9586000    
 H   -1.016800     -0.8550000     -0.9718000    
 H   -1.590500     -0.8591000       1.479900    
 H   -1.601300      0.8867000       1.481700    
 H   0.8505000     -0.8763000      0.7082000    
 H   0.8580000      0.8969000      0.7136000    
 H   -3.418100       2.159200      0.3923000    
 H   -3.388700      -2.154000      0.3900000    
 H   -5.816100       2.045200     -0.2777000    
 H   -5.788100      -2.072000     -0.2797000    
 H    3.495300      -2.156800     -0.4875000    
 H    3.515000       2.160500     -0.4765000    
 H    5.710400      -2.159500      0.5949000    
 H    5.730200       2.137200      0.6056000    
 H    6.834500     -1.7600000E-02   1.144700    


%chk=000114038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114038

0 1
S 1.751060 -0.002212 -1.403124
N -5.994164 0.009774 -0.396227
C -0.843938 -0.002887 -0.306221
C -1.803140 -0.003566 0.921070
C 0.628592 -0.004665 0.137410
C -3.261532 0.000956 0.496495
C -3.964819 1.212061 0.268588
C -3.971116 -1.205615 0.264013
C 3.401986 0.000201 -0.564964
C -5.307467 1.170209 -0.169712
C -5.313525 -1.155085 -0.174127
C 4.042025 -1.225504 -0.263322
C 4.035818 1.227916 -0.258332
C 5.314880 -1.221280 0.354023
C 5.308678 1.227646 0.359003
C 5.949026 0.004167 0.666566
H -1.047827 0.886940 -0.932509
H -1.049556 -0.890827 -0.934604
H -1.590753 -0.897111 1.539435
H -1.586461 0.886087 1.543563
H 0.871143 -0.904499 0.729857
H 0.872315 0.892815 0.732917
H -3.476108 2.179439 0.435499
H -3.487451 -2.176151 0.427256
H -5.866726 2.096077 -0.348175
H -5.877641 -2.077332 -0.356034
H 3.547516 -2.168846 -0.518771
H 3.536582 2.169764 -0.510095
H 5.809322 -2.171678 0.584524
H 5.798341 2.179597 0.593268
H 6.936541 0.005707 1.141731


