%chk=000096953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096953

0 1
 O    2.285800      3.9999999E-04  -1.450900    
 N    1.207500     -5.0000002E-04  0.6424000    
 N    3.509000     -3.0000001E-04  0.4791000    
 C  -0.1524000     -1.9999999E-04  0.3134000    
 C  -0.8301000       1.207900      0.1497000    
 C  -0.8306000      -1.208000      0.1497000    
 C   -2.186000       1.208300     -0.1776000    
 C   -2.186600      -1.207700     -0.1778000    
 C   -2.864200      6.0000003E-04 -0.3414000    
 C  -0.1312000       2.518100      0.3185000    
 C  -0.1323000      -2.518600      0.3179000    
 C    2.311100     -1.9999999E-04 -0.2229000    
 H   -2.729500       2.140200     -0.3096000    
 H   -2.730500      -2.139200     -0.3099000    
 H   -3.919900      7.9999998E-04 -0.5967000    
 H   0.3441000       2.577800       1.303300    
 H   0.6287000       2.648000     -0.4590000    
 H  -0.8251000       3.362700      0.2447000    
 H   0.6493000      -2.635700     -0.4398000    
 H   0.3151000      -2.591800       1.314800    
 H  -0.8208000      -3.364000      0.2109000    
 H    1.410300     -0.3343000       1.582000    
 H    4.400600     -8.9999998E-04 -4.6999999E-03
 H    3.531900      5.9000002E-03   1.493200    


%chk=000096953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096953

0 1
O 2.180766 0.917423 -1.216842
N 1.228447 -0.191702 0.642878
N 3.544821 0.157585 0.516546
C -0.157245 -0.095105 0.278457
C -0.772109 1.173275 0.062670
C -0.908129 -1.307199 0.196922
C -2.150446 1.195391 -0.268136
C -2.285643 -1.235957 -0.113412
C -2.906733 0.008331 -0.356756
C -0.005360 2.471639 0.199969
C -0.237740 -2.651785 0.424584
C 2.300950 0.339321 -0.098996
H -2.633095 2.164509 -0.441423
H -2.866883 -2.163268 -0.179515
H -3.972336 0.051946 -0.607408
H 0.663075 2.451999 1.081120
H 0.639987 2.637053 -0.681957
H -0.695471 3.326304 0.303591
H 0.656755 -2.769576 -0.215511
H 0.088676 -2.790654 1.476522
H -0.932089 -3.477042 0.194588
H 1.459199 -0.899699 1.343549
H 4.359134 0.477841 -0.001223
H 3.655670 -0.121328 1.489083


