%chk=000029139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029139

0 1
 S    2.506700      -2.066600      0.1329000    
 N   -5.372300     -0.2809000      0.1642000    
 N   0.7110000      0.5227000      0.5201000    
 N   0.1180000      0.5190000     -0.5861000    
 N    4.988500      -1.445600     -0.1932000    
 C   -3.989100     -7.9200000E-02 -2.4700001E-02
 C    2.915800     -0.3918000      0.1570000    
 C   -3.467800       1.214700     -3.4899998E-02
 C   -3.142400      -1.173600     -0.2012000    
 C   -1.260300      0.3188000     -0.3975000    
 C    2.077600      0.7210000      0.3326000    
 C    4.294100     -0.2552000     -3.4499999E-02
 C   -2.100000       1.414200     -0.2220000    
 C   -1.774600     -0.9740000     -0.3881000    
 C   -6.326700      0.7147000     -0.2808000    
 C   -5.857800      -1.493200      0.7931000    
 C    2.653800       1.993600      0.3126000    
 C    4.850500       1.042200     -5.0500002E-02
 C    4.022000       2.154400      0.1238000    
 C    4.152700      -2.455100     -0.1228000    
 H   -4.097500       2.087600      0.1115000    
 H   -3.516900      -2.193200     -0.2110000    
 H   -1.701500       2.425200     -0.2269000    
 H   -1.122500      -1.831900     -0.5288000    
 H   -7.331500      0.2869000     -0.3714000    
 H   -6.063000       1.110100      -1.268400    
 H   -6.385300       1.542700      0.4334000    
 H   -6.879900      -1.362500       1.166000    
 H   -5.242100      -1.772500       1.655800    
 H   -5.871900      -2.322700      7.8199998E-02
 H    2.029200       2.873700      0.4468000    
 H    5.918100       1.179500     -0.1972000    
 H    4.452400       3.152000      0.1113000    
 H    4.482100      -3.480300     -0.2209000    


%chk=000029139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029139

0 1
S 2.912136 -2.362081 0.117839
N -5.547961 -0.274834 0.119970
N 0.853223 0.012500 0.004057
N -0.021912 0.994451 -0.048119
N 5.444914 -1.421136 0.026459
C -4.186128 0.012423 0.079341
C 3.195901 -0.583744 0.005507
C -3.714066 1.363840 -0.023773
C -3.204978 -1.039659 0.140099
C -1.376832 0.592649 -0.001107
C 2.215219 0.437069 -0.042292
C 4.595767 -0.289923 -0.031003
C -2.341326 1.637401 -0.061557
C -1.838303 -0.755635 0.100515
C -6.534613 0.813482 0.048170
C -6.011620 -1.666938 0.228126
C 2.673796 1.781526 -0.129332
C 5.029749 1.054146 -0.117575
C 4.056648 2.076614 -0.165742
C 4.751062 -2.533846 0.103509
H -4.421876 2.195049 -0.073653
H -3.525663 -2.082220 0.218005
H -1.977751 2.667650 -0.139456
H -1.095183 -1.558063 0.146274
H -7.550185 0.390836 0.090111
H -6.441701 1.387094 -0.895488
H -6.424047 1.522086 0.893135
H -7.112104 -1.684645 0.248433
H -5.645521 -2.148937 1.156171
H -5.676377 -2.278660 -0.632854
H 1.920865 2.574473 -0.166167
H 6.101151 1.272599 -0.144928
H 4.379829 3.121207 -0.232579
H 5.187286 -3.532075 0.158303


