%chk=000030721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030721

0 1
 O    2.249600     -0.5368000       1.428100    
 O   -2.061000      -4.565700     -0.6912000    
 O   -2.978100      -2.680900      -1.343400    
 N   -1.085300       1.616100      0.3990000    
 N   -3.797600       2.464800      0.2382000    
 N    1.169500       1.755000      1.8300001E-02
 N   -2.057000      -3.313700     -0.7729000    
 C   -2.057600       1.125800       1.371900    
 C   -1.407500       2.902900     -0.2117000    
 C   -3.460500       1.133200      0.7626000    
 C   -2.824700       2.871700     -0.7863000    
 C   0.1111000       1.013100      0.2135000    
 C   -5.153700       2.473300     -0.3088000    
 C   0.1256000     -0.4790000      0.2543000    
 C    1.168900      -1.174800      0.8704000    
 C  -0.9471000      -1.196900     -0.2898000    
 C    2.458000       1.243900     -0.1962000    
 C    2.995000      0.1617000      0.5088000    
 C    1.128100      -2.567600      0.9782000    
 C  -0.9765000      -2.590300     -0.2017000    
 C   5.6499999E-02  -3.274400      0.4366000    
 C    3.286300       1.912600      -1.107600    
 C    4.323100     -0.2365000      0.3282000    
 C    4.607900       1.507400      -1.309700    
 C    5.127100      0.4350000     -0.5889000    
 H   -2.037700       1.798300       2.240300    
 H   -1.834100      0.1338000       1.775400    
 H  -0.7132000       3.145300      -1.025100    
 H   -1.316100       3.694900      0.5417000    
 H   -3.542400      0.3771000     -2.6900001E-02
 H   -4.173800      0.8567000       1.548700    
 H   -3.068900       3.874300      -1.157600    
 H   -2.858200       2.186000      -1.643800    
 H   -5.269100       1.772700      -1.143700    
 H   -5.419500       3.476200     -0.6610000    
 H   -5.882200       2.209500      0.4659000    
 H   -1.729700     -0.6632000     -0.8206000    
 H    1.932300      -3.105400       1.473000    
 H   6.2100001E-02  -4.357600      0.5276000    
 H    2.906300       2.766700      -1.664200    
 H    4.729900      -1.071800      0.8914000    
 H    5.234000       2.037100      -2.021900    
 H    6.156800      0.1253000     -0.7395000    


%chk=000030721-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030721

0 1
O 2.298108 -0.570991 1.415340
O -1.918416 -4.955201 -0.500007
O -2.954224 -3.061406 -1.240828
N -1.198425 1.444786 0.254626
N -3.825678 2.621663 0.227368
N 1.082020 1.609493 -0.205676
N -1.981889 -3.673227 -0.647155
C -2.242429 0.995886 1.208862
C -1.374850 2.859291 -0.146230
C -3.641276 1.201731 0.602034
C -2.784212 3.055249 -0.733728
C 0.059348 0.846734 0.144210
C -5.193073 2.912506 -0.244887
C 0.105456 -0.649267 0.280714
C 1.210211 -1.303817 0.896854
C -0.931388 -1.455881 -0.244191
C 2.412852 1.189740 -0.354622
C 3.046382 0.178899 0.430706
C 1.241546 -2.707681 1.059668
C -0.877553 -2.855697 -0.096562
C 0.190061 -3.499776 0.569053
C 3.247819 1.911175 -1.256921
C 4.421552 -0.091514 0.347899
C 4.624904 1.636623 -1.367630
C 5.222576 0.640125 -0.558542
H -2.164872 1.603768 2.135146
H -2.092157 -0.059878 1.478465
H -0.592638 3.109469 -0.878704
H -1.240725 3.521323 0.733899
H -3.766757 0.515725 -0.276562
H -4.405649 0.929592 1.353293
H -2.932854 4.128440 -0.955467
H -2.854828 2.492879 -1.700642
H -5.463725 2.367446 -1.183862
H -5.296498 3.995598 -0.435754
H -5.923183 2.632762 0.535442
H -1.776353 -1.004069 -0.770135
H 2.103401 -3.152382 1.564408
H 0.186035 -4.587570 0.673144
H 2.777519 2.701145 -1.850907
H 4.847320 -0.864460 0.995357
H 5.236939 2.209486 -2.072494
H 6.296201 0.437084 -0.625385


