%chk=000114337.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114337

0 1
 S    2.416800      0.2740000       1.846400    
 O   -1.355200      -1.265000      -1.505400    
 N   -3.210000      7.0000002E-03 -0.2556000    
 N   0.3831000     -3.3100002E-02 -0.4925000    
 C   -4.320600      0.8636000      0.1592000    
 C   -3.056800     -0.9661000      0.8255000    
 C   -5.326000     -0.1308000      0.7209000    
 C   -4.495000      -1.331700       1.162100    
 C   -1.989600      0.7603000     -0.5023000    
 C  -0.9451000     -0.2589000     -0.9189000    
 C   0.9310000       1.283500     -0.2721000    
 C    1.291900      -1.139800     -0.2784000    
 C    1.866800       1.547100      0.7409000    
 C    2.266900      -1.107200      0.7370000    
 C   0.5825000       2.341700      -1.132700    
 C    1.235000      -2.292200      -1.084700    
 C    2.376400       2.842800      0.9221000    
 C    3.125200      -2.199600      0.9446000    
 C    1.098300       3.627400     -0.9553000    
 C    2.096900      -3.373700     -0.8789000    
 C    1.988500       3.880400      7.9300001E-02
 C    3.039000      -3.329700      0.1388000    
 H   -4.739300       1.431100     -0.6777000    
 H   -4.019300       1.569000      0.9443000    
 H   -2.578300     -0.5187000       1.707000    
 H   -2.498700      -1.866400      0.5530000    
 H   -6.041700     -0.4386000     -5.0400000E-02
 H   -5.893000      0.2980000       1.553300    
 H   -4.617300      -1.538200       2.230200    
 H   -4.811000      -2.223600      0.6082000    
 H   -2.146400       1.455300      -1.332800    
 H   -1.675900       1.314700      0.3884000    
 H  -8.2199998E-02   2.175200      -1.977000    
 H   0.5604000      -2.369400      -1.931000    
 H    3.086900       3.056500       1.717800    
 H    3.869200      -2.182000       1.738200    
 H   0.8078000       4.426100      -1.631600    
 H    2.034300      -4.245400      -1.524100    
 H    2.391100       4.878600      0.2220000    
 H    3.708200      -4.169000      0.3014000    


%chk=000114337-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114337

0 1
S 2.324075 0.130887 1.919752
O -1.214855 -1.819249 -0.733687
N -3.258385 -0.026233 0.010136
N 0.488908 -0.242648 -0.458227
C -4.286266 1.038602 0.134271
C -3.495740 -0.940708 1.156824
C -5.566904 0.263838 0.541307
C -5.040741 -1.053473 1.209364
C -1.899538 0.481779 -0.151568
C -0.884044 -0.628813 -0.497477
C 0.921028 1.126648 -0.296710
C 1.520690 -1.258016 -0.400839
C 1.776583 1.463012 0.783910
C 2.468098 -1.197608 0.651341
C 0.566769 2.126536 -1.234424
C 1.605821 -2.294945 -1.357645
C 2.207274 2.793757 0.972444
C 3.494418 -2.159681 0.754082
C 0.978556 3.461802 -1.038086
C 2.616900 -3.273421 -1.242645
C 1.786894 3.799265 0.073472
C 3.560333 -3.207995 -0.191069
H -4.396248 1.588412 -0.818572
H -4.019153 1.782165 0.930687
H -3.104610 -0.502296 2.112292
H -2.992292 -1.904361 0.984141
H -6.171487 0.024743 -0.349819
H -6.195573 0.860850 1.224932
H -5.398896 -1.170642 2.247106
H -5.377240 -1.933226 0.635651
H -1.909511 1.233658 -0.961837
H -1.517438 1.018560 0.758940
H -0.020395 1.849195 -2.116174
H 0.866417 -2.341623 -2.159775
H 2.874345 3.036225 1.806093
H 4.230439 -2.088924 1.561424
H 0.686101 4.231598 -1.759768
H 2.668282 -4.084510 -1.976443
H 2.113310 4.833467 0.224597
H 4.348872 -3.963427 -0.108800


