%chk=000040435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040435

0 1
 N    3.765300      0.5074000     -0.3044000    
 C  -0.6357000     -0.1642000     -0.2837000    
 C   -2.935100     -6.9200002E-02  -1.345900    
 C   -2.661700      -1.036200      0.9653000    
 C   -2.388700       1.441700      0.5957000    
 C   -1.432300     -0.2735000      -1.605500    
 C   -1.159600      -1.237900      0.6993000    
 C  -0.8873000       1.233100      0.3310000    
 C   -3.429600      -1.143200     -0.3627000    
 C   -3.157800       1.322300     -0.7304000    
 C   -2.885900      0.3601000       1.569100    
 C   0.8588000     -0.3680000     -0.5457000    
 C    1.658200     -0.2981000      0.7546000    
 C    3.167200     -0.5197000      0.5485000    
 C    3.424500      -1.885100     -8.7700002E-02
 C    5.205900      0.2907000     -0.4311000    
 C    3.493800       1.839700      0.2335000    
 H   -3.487100     -0.1489000      -2.289000    
 H   -3.020600      -1.802200       1.661800    
 H   -2.553700       2.434300       1.029800    
 H   -1.269300      -1.255800      -2.067300    
 H   -1.077900      0.4756000      -2.325300    
 H  -0.6576000      -1.188300       1.670700    
 H  -0.9850000      -2.243700      0.2967000    
 H  -0.5168000       2.017600     -0.3412000    
 H  -0.3722000       1.363900       1.287400    
 H   -3.290500      -2.141000     -0.7965000    
 H   -4.505000      -1.020700     -0.1843000    
 H   -2.823100       2.098900      -1.428900    
 H   -4.228400       1.488500     -0.5585000    
 H   -2.356800      0.4447000       2.526300    
 H   -3.951700      0.5092000       1.781100    
 H    1.213200      0.3903000      -1.254100    
 H    1.001800      -1.341300      -1.029300    
 H    1.498400      0.6297000       1.306500    
 H    1.339400      -1.095400       1.434500    
 H    3.635100     -0.5133000       1.543400    
 H    2.793500      -2.653600      0.3740000    
 H    3.221200      -1.896000      -1.164700    
 H    4.458000      -2.215700      6.4099997E-02
 H    5.439900     -0.6009000      -1.021000    
 H    5.705800      0.2188000      0.5419000    
 H    5.669300       1.119000     -0.9810000    
 H    2.443000       2.124100      0.1225000    
 H    4.047700       2.599700     -0.3313000    
 H    3.784700       1.933800       1.286200    


%chk=000040435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040435

0 1
N 3.745905 0.544589 -0.283004
C -0.649762 -0.209319 -0.178663
C -2.907539 -0.045682 -1.393897
C -2.810951 -0.982073 0.959112
C -2.417602 1.493146 0.559980
C -1.387601 -0.312012 -1.550691
C -1.289759 -1.246609 0.792927
C -0.897374 1.221263 0.391459
C -3.514593 -1.092252 -0.420730
C -3.122316 1.380557 -0.819110
C -3.023267 0.445652 1.533819
C 0.862726 -0.487097 -0.408889
C 1.750249 -0.505997 0.857124
C 3.276241 -0.597540 0.563461
C 3.625274 -1.957372 -0.087330
C 5.175376 0.449145 -0.653118
C 3.454106 1.863610 0.320605
H -3.400856 -0.126167 -2.383361
H -3.240624 -1.729763 1.655885
H -2.565469 2.512011 0.971229
H -1.223950 -1.321933 -1.981160
H -0.945689 0.417417 -2.260911
H -0.796954 -1.192753 1.784456
H -1.120853 -2.271881 0.401661
H -0.450959 1.972580 -0.293328
H -0.395414 1.336374 1.373626
H -3.384400 -2.113665 -0.832689
H -4.604272 -0.920900 -0.307291
H -2.711020 2.137012 -1.517944
H -4.206019 1.589074 -0.710140
H -2.543004 0.529137 2.530029
H -4.105707 0.640585 1.675181
H 1.268844 0.273045 -1.106877
H 0.957878 -1.463027 -0.929103
H 1.548021 0.388754 1.475023
H 1.493745 -1.377045 1.491474
H 3.796689 -0.556295 1.561269
H 3.109525 -2.771299 0.453815
H 3.299518 -1.981018 -1.142441
H 4.707315 -2.172638 -0.053378
H 5.359273 -0.447001 -1.267208
H 5.862954 0.412602 0.231778
H 5.450656 1.330353 -1.259980
H 2.366110 2.025887 0.399492
H 3.861855 2.658243 -0.329394
H 3.898992 1.991504 1.341631


