%chk=000004002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004002

0 1
 O   -2.899600     -0.7638000      9.4099998E-02
 N  -0.1614000      -2.052400      4.6000001E-03
 N    1.808300       2.017200      7.7600002E-02
 N   -3.074300       1.977300     -0.1013000    
 C   0.6032000      2.2000000E-03  1.2000001E-03
 C    1.707800     -0.8422000     -0.1083000    
 C  -0.5450000     -0.7345000      2.3700001E-02
 C    3.041600     -0.2283000     -0.2650000    
 C   0.6677000       1.424300      9.3999999E-03
 C    1.218600      -2.128900     -9.0400003E-02
 C    3.036600       1.204000      0.3218000    
 C   -1.849300     -0.1329000      3.5700001E-02
 C  -0.6750000       2.068500     -7.1800001E-02
 C   -1.843700       1.387500     -5.0000001E-02
 C   -1.035600      -3.198000      0.1187000    
 H    3.281300     -0.1762000      -1.334100    
 H    3.818700     -0.8285000      0.2197000    
 H    1.719900      -3.085700     -0.1498000    
 H    3.180200       1.151100       1.408700    
 H    3.895300       1.753200     -8.0499999E-02
 H  -0.6726000       3.153800     -0.1259000    
 H   -1.608300      -3.106100       1.045000    
 H   -1.699000      -3.211800     -0.7496000    
 H  -0.4392000      -4.113600      0.1438000    
 H   -3.909400       1.405400     -8.1600003E-02
 H   -3.150100       2.985100     -0.1598000    


%chk=000004002-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004002

0 1
O -3.004648 -0.704567 -0.014398
N -0.188146 -2.104181 0.045073
N 1.840122 2.099114 0.054705
N -3.062641 1.964987 -0.165171
C 0.617133 0.001097 0.014389
C 1.736468 -0.863623 -0.023989
C -0.566294 -0.752468 0.043684
C 3.096701 -0.227751 -0.194242
C 0.674269 1.455392 -0.030221
C 1.211084 -2.173570 0.000342
C 3.053226 1.258552 0.318465
C -1.862867 -0.114804 -0.014624
C -0.608306 2.133110 -0.125830
C -1.800644 1.409182 -0.108288
C -1.103131 -3.257328 0.110540
H 3.371658 -0.238237 -1.268877
H 3.897865 -0.766899 0.344598
H 1.714553 -3.138990 -0.013973
H 3.176745 1.257658 1.424084
H 3.920105 1.808007 -0.090023
H -0.610815 3.227453 -0.174220
H -1.011242 -3.774048 1.082652
H -2.133637 -2.887367 -0.002352
H -0.876969 -3.971297 -0.700335
H -3.855147 1.319968 -0.142085
H -3.208742 2.967311 -0.234004


