%chk=000050132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050132

1 1
 S   -1.424000      8.4500000E-02  0.4729000    
 N   -4.064100      1.7999999E-02 -0.3559000    
 C    3.849000     -4.9800001E-02  0.3843000    
 C    5.156600     -8.7700002E-02 -0.4119000    
 C    2.599400     -2.8999999E-02 -0.4991000    
 C    6.407100     -3.4200002E-02  0.4684000    
 C    1.323300      3.1900000E-02  0.3465000    
 C    7.679400     -1.8000000E-03 -0.3795000    
 C   8.1100002E-02  1.6600000E-02 -0.5395000    
 C    8.924700      9.0099998E-02  0.4880000    
 C   -2.669800      5.1399998E-02 -0.8464000    
 C   -4.684900       1.177600     -0.1498000    
 C   -4.627200      -1.169800     -0.1457000    
 C   -5.994100       1.176800      0.3099000    
 C   -5.934700      -1.231400      0.3147000    
 C   -6.621800     -4.3000001E-02  0.5433000    
 H    3.810500     -0.9207000       1.050300    
 H    3.848500      0.8399000       1.026500    
 H    5.171300      0.7600000      -1.108300    
 H    5.179900     -0.9987000      -1.022600    
 H    2.638000      0.8375000      -1.170100    
 H    2.584100     -0.9266000      -1.129000    
 H    6.425200     -0.9054000       1.134100    
 H    6.367600      0.8585000       1.104400    
 H    1.340000      0.9426000      0.9584000    
 H    1.305400     -0.8241000       1.032900    
 H    7.653200      0.8578000      -1.059400    
 H    7.736500     -0.9042000     -0.9992000    
 H   6.0300000E-02 -0.8975000      -1.141900    
 H   9.0899996E-02  0.8776000      -1.216100    
 H    9.822200      0.1102000     -0.1381000    
 H    8.913700       1.000900       1.095200    
 H    8.998600     -0.7707000       1.160300    
 H   -2.518900     -0.8300000      -1.480200    
 H   -2.559200      0.9353000      -1.484800    
 H   -4.139300       2.092200     -0.3468000    
 H   -4.037400      -2.057400     -0.3393000    
 H   -6.518300       2.110100      0.4854000    
 H   -6.412400      -2.188700      0.4941000    
 H   -7.645800     -6.7599997E-02  0.9039000    


%chk=000050132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050132

1 1
S -1.513986 0.024352 0.349175
N -4.137486 -0.010313 -0.468152
C 3.868209 0.010466 0.360953
C 5.197318 0.003016 -0.428160
C 2.625203 0.003977 -0.558796
C 6.444233 0.007560 0.484762
C 1.298199 0.013941 0.242619
C 7.774172 -0.000521 -0.303542
C 0.084722 0.005104 -0.702227
C 9.015014 0.003738 0.614559
C -2.774182 -0.000330 -1.067528
C -4.763503 1.184613 -0.189530
C -4.716886 -1.213235 -0.129267
C -6.021071 1.197010 0.429143
C -5.973669 -1.243505 0.490182
C -6.639878 -0.027829 0.773681
H 3.835741 -0.872638 1.031782
H 3.837095 0.904579 1.017138
H 5.232525 0.886824 -1.098800
H 5.229981 -0.889920 -1.086750
H 2.662285 0.887579 -1.228592
H 2.659240 -0.892087 -1.212004
H 6.413426 -0.875503 1.156660
H 6.416472 0.900637 1.143420
H 1.267143 0.912264 0.889143
H 1.264936 -0.870099 0.908376
H 7.805766 0.882127 -0.974499
H 7.802415 -0.892648 -0.962002
H 0.065693 -0.907809 -1.322566
H 0.071650 0.901280 -1.346583
H 9.951382 -0.002344 0.027936
H 9.027965 0.901363 1.260979
H 9.024482 -0.884398 1.274024
H -2.644359 -0.906573 -1.679581
H -2.664708 0.897823 -1.695051
H -4.228035 2.094269 -0.468293
H -4.145562 -2.114035 -0.361877
H -6.500639 2.156120 0.636452
H -6.415912 -2.208905 0.745650
H -7.620791 -0.034750 1.257065


