%chk=000004250.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004250

0 1
 S    2.567300       1.682000      6.9600001E-02
 N   -2.699500      0.9711000      2.0900000E-02
 N   -1.774500      -1.245600      1.1500000E-02
 C   -4.077000      0.5058000      0.1592000    
 C   -4.189200     -0.9023000     -0.4015000    
 C   -3.121500      -1.781800      0.2278000    
 C   -1.647800      5.0999999E-02 -6.1099999E-02
 C   -2.501800       2.414000      6.5499999E-02
 C  -0.2401000      0.5017000     -0.2555000    
 C   0.7174000     -0.2698000      0.2420000    
 C    2.110400      4.2700000E-02  0.1089000    
 C    3.165700     -0.8157000      4.9999999E-03
 C    4.398400     -0.1107000     -0.1113000    
 C    3.074600      -2.296900      9.3000000E-03
 C    4.217700       1.254700     -9.0099998E-02
 H   -4.767100       1.164700     -0.3802000    
 H   -4.357600      0.5191000       1.218700    
 H   -4.052400     -0.8795000      -1.490100    
 H   -5.186000      -1.310800     -0.2039000    
 H   -3.295000      -1.899300       1.303700    
 H   -3.172200      -2.780900     -0.2183000    
 H   -1.762600       2.679100      0.8286000    
 H   -3.428200       2.943400      0.3130000    
 H   -2.157400       2.778900     -0.9072000    
 H  -8.1699997E-02   1.428800     -0.7912000    
 H   0.4953000      -1.198700      0.7600000    
 H    5.372200     -0.5745000     -0.2060000    
 H    4.050700      -2.759800     -0.1704000    
 H    2.707600      -2.657200      0.9761000    
 H    2.393500      -2.646900     -0.7736000    
 H    4.975900       2.021700     -0.1607000    


%chk=000004250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004250

0 1
S 2.687588 1.779072 -0.450960
N -2.742096 0.936469 0.159451
N -1.880784 -1.328264 0.052215
C -4.158057 0.529114 -0.004336
C -4.270388 -0.902423 -0.560699
C -3.271292 -1.814780 0.188946
C -1.704226 -0.010889 0.056356
C -2.512419 2.372159 0.375393
C -0.322972 0.515104 -0.068390
C 0.772173 -0.304119 0.024933
C 2.161605 0.063706 -0.110278
C 3.277190 -0.785093 -0.009553
C 4.529505 -0.094197 -0.196713
C 3.181531 -2.271348 0.269465
C 4.403188 1.264348 -0.438914
H -4.656631 1.243469 -0.691681
H -4.680718 0.602045 0.974009
H -4.015557 -0.907313 -1.637115
H -5.311209 -1.259992 -0.455463
H -3.554661 -1.859710 1.265027
H -3.315400 -2.848506 -0.198161
H -1.667460 2.543210 1.063357
H -3.411920 2.809252 0.846098
H -2.320983 2.928515 -0.566909
H -0.190744 1.585004 -0.269406
H 0.559829 -1.365793 0.214018
H 5.497413 -0.600583 -0.151321
H 4.183950 -2.731772 0.274287
H 2.714232 -2.473072 1.251103
H 2.574600 -2.792255 -0.493537
H 5.179811 2.006943 -0.612521


