%chk=000054359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054359

0 1
 O   -2.906800       1.331300      -1.320900    
 N    2.616700     -0.7535000     -0.2361000    
 N   -4.044600      -4.773700       1.307000    
 C    4.966700     -0.4168000      0.4211000    
 C    6.157700     -0.9362000       1.220500    
 C    5.516000     -0.3913000      -1.001600    
 C    3.725000      -1.278800      0.5683000    
 C    7.359700     -0.2390000      0.5908000    
 C    6.942400      0.1225000     -0.8358000    
 C    1.485600      -1.694500     -0.1950000    
 C    2.269300      0.6005000      0.2250000    
 C   0.3753000      -1.357500      -1.199900    
 C    1.292800       1.330400     -0.7077000    
 C  -0.5907000     -0.3023000     -0.6909000    
 C  -0.1591000      0.9617000     -0.4591000    
 C   -1.990900     -0.7419000     -0.4495000    
 C   -1.040700       2.040600      6.1200000E-02
 C   -3.083800      6.7100003E-02 -0.8008000    
 C   -2.354200       2.203900     -0.4083000    
 C   -2.269900      -2.000700      0.1082000    
 C  -0.5764000       2.958000       1.018400    
 C   -4.402400     -0.3770000     -0.6549000    
 C   -3.157900       3.267900      1.5000000E-02
 C   -3.586400      -2.441000      0.2767000    
 C   -1.383200       4.010800       1.461600    
 C   -4.651300      -1.633400     -0.1124000    
 C   -2.669500       4.170500      0.9540000    
 C   -3.839300      -3.727900      0.8450000    
 H    4.816400      0.6059000      0.7805000    
 H    6.261100      -2.022400       1.106600    
 H    6.071700     -0.7194000       2.290000    
 H    4.933300      0.2505000      -1.669700    
 H    5.536100      -1.399500      -1.433800    
 H    3.441400      -1.344100       1.627300    
 H    3.965600      -2.299800      0.2436000    
 H    8.244900     -0.8829000      0.6052000    
 H    7.607900      0.6724000       1.147000    
 H    6.973100       1.210500     -0.9660000    
 H    7.613900     -0.3160000      -1.580800    
 H    1.080600      -1.786000      0.8217000    
 H    1.857600      -2.689200     -0.4745000    
 H    3.139400       1.258300      0.2176000    
 H    1.892200      0.5859000       1.256300    
 H  -0.1553000      -2.284000      -1.452100    
 H   0.8062000      -1.037700      -2.158600    
 H    1.550900       1.143700      -1.759200    
 H    1.443400       2.411700     -0.5946000    
 H   -1.454800      -2.650600      0.4232000    
 H   0.4219000       2.868400       1.440900    
 H   -5.233800      0.2581000     -0.9484000    
 H   -4.165900       3.386100     -0.3729000    
 H   -1.001800       4.709200       2.201200    
 H   -5.679300      -1.966500      7.0000002E-03
 H   -3.291500       4.992600       1.294800    


%chk=000054359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054359

0 1
O -3.083102 1.358103 -1.260995
N 2.615464 -0.568579 -0.008761
N -3.862269 -5.104018 0.908658
C 5.115591 -0.386978 0.419532
C 6.318396 -0.962759 1.214334
C 5.558924 -0.580214 -1.052970
C 3.779718 -1.067604 0.776022
C 7.570728 -0.485630 0.423180
C 7.086185 -0.273282 -1.054936
C 1.504048 -1.551581 -0.032943
C 2.195067 0.788508 0.416174
C 0.412769 -1.219765 -1.087563
C 1.206672 1.470681 -0.569084
C -0.646690 -0.211569 -0.643992
C -0.263111 1.091911 -0.392697
C -2.027493 -0.733801 -0.458928
C -1.171124 2.160407 0.104798
C -3.190680 0.027968 -0.774471
C -2.522287 2.283773 -0.320054
C -2.245286 -2.068068 -0.021438
C -0.701289 3.162002 1.004981
C -4.490422 -0.513106 -0.700971
C -3.356030 3.340717 0.089182
C -3.547330 -2.622668 0.076991
C -1.524692 4.220520 1.439438
C -4.680503 -1.841245 -0.281157
C -2.855346 4.322455 0.971382
C -3.719157 -3.977951 0.530834
H 5.058038 0.701374 0.632965
H 6.259687 -2.070532 1.208499
H 6.333856 -0.639180 2.271307
H 4.986937 0.050513 -1.754516
H 5.373655 -1.634218 -1.343273
H 3.597603 -0.978679 1.878880
H 3.885633 -2.149546 0.559041
H 8.397000 -1.215941 0.490125
H 7.948596 0.465016 0.843527
H 7.273555 0.768569 -1.374640
H 7.627600 -0.925613 -1.763558
H 1.021203 -1.666066 0.973027
H 1.949308 -2.529866 -0.294265
H 3.106108 1.410497 0.469672
H 1.744809 0.776316 1.443467
H -0.076377 -2.159904 -1.394763
H 0.938842 -0.840715 -1.986391
H 1.541432 1.211415 -1.593504
H 1.316263 2.564496 -0.477474
H -1.389730 -2.691469 0.255406
H 0.325634 3.099435 1.380446
H -5.335105 0.120475 -0.986030
H -4.377958 3.383817 -0.299410
H -1.128496 4.966683 2.136288
H -5.684109 -2.272769 -0.225219
H -3.495433 5.152562 1.288048


