%chk=000132644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132644

0 1
 O    4.567200      0.6464000       1.502100    
 N   0.4732000     -0.5807000     -0.7188000    
 N   -1.772900      -2.264300     -5.0600000E-02
 N   -2.129400       2.656400     -5.0999999E-02
 N   -2.637200      -3.257800      0.2129000    
 C   -1.760300      0.2869000     -0.1064000    
 C   -2.303100      -1.006200      7.3299997E-02
 C  -0.4229000      0.4855000     -0.4878000    
 C   -2.596000       1.404200      0.1066000    
 C   -3.625100      -1.209600      0.4504000    
 C   4.8999999E-02   1.779000     -0.6474000    
 C   -3.918400       1.187900      0.4846000    
 C   -4.453300     -9.8300003E-02  0.6618000    
 C  -0.8351000       2.817600     -0.4195000    
 C   -3.764100      -2.611800      0.5178000    
 C    1.867500     -0.7021000     -0.5706000    
 C  -0.3634000       4.224700     -0.5816000    
 C    2.535600      4.0700000E-02  0.4049000    
 C    2.587300      -1.565600      -1.399000    
 C    3.917400     -7.9499997E-02  0.5515000    
 C    3.969000      -1.685900      -1.252400    
 C    4.634200     -0.9429000     -0.2771000    
 C    5.980600      0.4756000       1.596000    
 H    1.064100       1.992800     -0.9652000    
 H   -4.573400       2.042100      0.6520000    
 H   -5.491100     -0.2200000      0.9573000    
 H   8.5600004E-02  -1.275000      -1.350700    
 H  -0.8238000      -2.526000     -0.2802000    
 H   -4.640800      -3.188500      0.7768000    
 H  -2.7200000E-02   4.397500      -1.608900    
 H   -1.166800       4.936600     -0.3652000    
 H   0.4636000       4.430500      0.1055000    
 H    1.995700      0.7020000       1.078100    
 H    2.082300      -2.150600      -2.163600    
 H    4.526300      -2.358300      -1.898300    
 H    5.707900      -1.084600     -0.2179000    
 H    6.486900      0.7990000      0.6801000    
 H    6.244300     -0.5499000       1.876400    
 H    6.332000       1.127600       2.402400    


%chk=000132644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132644

0 1
O 4.672151 0.718542 1.362491
N 0.481748 -0.648756 -0.653224
N -1.795936 -2.343013 0.254104
N -2.166930 2.667826 -0.093921
N -2.763470 -3.318631 0.517227
C -1.741030 0.220026 -0.089397
C -2.339682 -1.064352 0.133383
C -0.350780 0.463658 -0.380037
C -2.626402 1.362697 -0.009652
C -3.748217 -1.230571 0.316425
C 0.092202 1.796620 -0.444317
C -4.047943 1.176773 0.172482
C -4.610752 -0.086576 0.312598
C -0.838115 2.868191 -0.276100
C -3.941086 -2.637862 0.536300
C 1.898744 -0.714651 -0.589258
C -0.358564 4.304303 -0.338237
C 2.641928 0.048825 0.340451
C 2.572801 -1.638180 -1.439647
C 4.047648 -0.095363 0.405161
C 3.969853 -1.777460 -1.348463
C 4.730359 -1.009106 -0.436797
C 6.125405 0.602217 1.508281
H 1.135459 2.026078 -0.674198
H -4.655717 2.085644 0.197552
H -5.690746 -0.209258 0.444106
H 0.040584 -1.387673 -1.207924
H -0.815690 -2.600431 0.346398
H -4.866959 -3.181019 0.717484
H 0.130641 4.522503 -1.306204
H -1.215618 4.983474 -0.213636
H 0.381857 4.513119 0.456631
H 2.157409 0.734025 1.040295
H 2.005386 -2.228893 -2.168845
H 4.481902 -2.488940 -2.005583
H 5.815910 -1.128908 -0.393645
H 6.647522 0.883651 0.573273
H 6.419633 -0.423055 1.805201
H 6.389896 1.309925 2.307539


