%chk=000113312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113312

1 1
 S   -1.009700       2.030000      0.2015000    
 N    2.969300     -5.4900002E-02 -0.2186000    
 C    4.256800     -0.7299000     -0.3545000    
 C    2.068600     -0.1778000      -1.203100    
 C    2.730700      0.6649000      0.8861000    
 C   0.5662000       1.204400      3.5100002E-02
 C   0.8365000      0.4523000      -1.101100    
 C    1.516000       1.317000       1.042300    
 C    4.161500      -2.122000      0.2374000    
 C   -2.135000      0.6494000      0.1329000    
 C   -2.050300     -0.3676000       1.083700    
 C   -3.100600      0.5864000     -0.8717000    
 C   -2.931400      -1.447800       1.030000    
 C   -3.981700     -0.4936000     -0.9254000    
 C   -3.896900      -1.510700      2.5400000E-02
 H    4.524700     -0.7680000      -1.416200    
 H    5.022600     -0.1342000      0.1547000    
 H    2.340500     -0.7809000      -2.061100    
 H    3.511400      0.7088000       1.636000    
 H   0.1175000      0.3489000      -1.908000    
 H    1.329900       1.896800       1.941100    
 H    3.897300      -2.083300       1.299100    
 H    5.120000      -2.641200      0.1429000    
 H    3.398500      -2.717800     -0.2737000    
 H   -1.310300     -0.3372000       1.879600    
 H   -3.181400       1.369300      -1.621800    
 H   -2.866600      -2.239200       1.771100    
 H   -4.733500     -0.5430000      -1.707600    
 H   -4.583100      -2.351600     -1.6300000E-02


%chk=000113312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113312

1 1
S -1.010694 1.553740 1.173087
N 3.032043 -0.124933 -0.298309
C 4.366979 -0.683266 -0.714691
C 1.867066 -0.747316 -0.695322
C 2.970883 0.975496 0.532726
C 0.531239 0.852110 0.572158
C 0.619102 -0.285214 -0.281175
C 1.750123 1.479096 0.974447
C 4.881807 -1.740583 0.278283
C -2.285174 0.409672 0.460356
C -2.669241 -0.732651 1.198526
C -2.908970 0.751162 -0.760762
C -3.692661 -1.563379 0.685407
C -3.932356 -0.088207 -1.260778
C -4.320903 -1.242641 -0.541164
H 4.245596 -1.110738 -1.724409
H 5.068718 0.164112 -0.794339
H 1.975559 -1.613690 -1.351662
H 3.923053 1.427359 0.818750
H -0.281330 -0.802154 -0.621846
H 1.746239 2.355883 1.627491
H 5.022393 -1.318079 1.288089
H 5.858709 -2.117683 -0.069605
H 4.193769 -2.600511 0.351184
H -2.195303 -0.962627 2.158087
H -2.616789 1.655752 -1.303413
H -4.004346 -2.447980 1.249601
H -4.428443 0.168037 -2.202148
H -5.119570 -1.883269 -0.928771


