%chk=000025655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025655

0 1
 O    4.308200       1.084500       1.254100    
 N    1.958300     -0.9938000     -0.8824000    
 N  -0.8863000      -1.042300     -0.3105000    
 N   -1.470700      0.1501000     -6.2100001E-02
 C    3.238800     -0.3168000      -1.076700    
 C    1.454400     -0.7766000      0.4804000    
 C   0.9759000     -0.5495000      -1.880000    
 C   0.1043000      -1.474800      0.6802000    
 C  -0.3699000      -1.251700      -1.667800    
 C    3.090000       1.171000     -0.8590000    
 C    4.291400     -0.9017000     -0.1642000    
 C    3.607800       1.774600      0.2925000    
 C    4.743100     -0.1840000      0.9492000    
 C    2.409200       1.966300      -1.793300    
 C    4.813900      -2.181900     -0.4027000    
 C   -2.750000      5.7100002E-02  6.6799998E-02
 C   -3.705700       1.141800      0.3401000    
 C   -3.523400      -1.192500     -3.9700001E-02
 C    3.431900       3.142600      0.5181000    
 C    5.683100     -0.7414000       1.820400    
 C   -4.986500      0.5648000      0.3936000    
 C   -4.875600     -0.8599000      0.1619000    
 C    2.241400       3.334000      -1.572100    
 C    5.759300      -2.734700      0.4624000    
 C    2.749300       3.920700     -0.4152000    
 C    6.190500      -2.016300       1.575200    
 C   -3.477300       2.491300      0.5226000    
 C   -3.096300      -2.482700     -0.2856000    
 C   -6.088500       1.364900      0.6394000    
 C   -5.841400      -1.850300      0.1169000    
 C   -4.591200       3.293700      0.7702000    
 C   -4.073500      -3.477800     -0.3300000    
 C   -5.883000       2.737100      0.8281000    
 C   -5.431400      -3.165700     -0.1309000    
 H    3.599600     -0.4709000      -2.104000    
 H    1.310900      0.2828000      0.7233000    
 H    2.130600      -1.201200       1.230200    
 H    1.328600     -0.7586000      -2.896300    
 H   0.6959000      0.4982000      -1.797300    
 H   0.2378000      -2.562200      0.6070000    
 H  -0.2672000      -1.285200       1.695000    
 H   -1.096700     -0.8963000      -2.409100    
 H  -0.2508000      -2.327300      -1.853200    
 H    2.095200       1.574600      -2.757200    
 H    4.480300      -2.758600      -1.261900    
 H    3.831500       3.608700       1.414800    
 H    6.028600     -0.1847000       2.687300    
 H    1.734500       3.945300      -2.313000    
 H    6.155200      -3.727700      0.2700000    
 H    2.621400       4.985600     -0.2449000    
 H    6.923700      -2.448000       2.250100    
 H   -2.481700       2.916400      0.4774000    
 H   -2.095400      -2.847500     -0.4336000    
 H   -7.091300      0.9535000      0.6876000    
 H   -6.892400      -1.627800      0.2683000    
 H   -4.462800       4.362400      0.9205000    
 H   -3.786500      -4.509700     -0.5162000    
 H   -6.734200       3.384700       1.022600    
 H   -6.172400      -3.960100     -0.1695000    


%chk=000025655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025655

0 1
O 4.701847 1.411428 0.794773
N 1.852393 -0.890209 -0.411395
N -0.735447 -1.479978 0.755828
N -1.650857 -0.498999 1.106007
C 3.081379 -0.271884 -1.027908
C 1.559225 -0.475291 0.983354
C 0.627661 -0.830069 -1.239316
C 0.497651 -1.424053 1.581355
C -0.442857 -1.798201 -0.674173
C 3.063765 1.259471 -1.059950
C 4.313713 -0.782050 -0.291361
C 3.801705 2.014960 -0.114594
C 5.036858 0.052506 0.593289
C 2.262145 1.977976 -1.983028
C 4.733432 -2.128052 -0.419171
C -2.874838 -0.452473 0.573564
C -3.726545 0.732915 0.840284
C -3.709727 -1.393544 -0.225474
C 3.711920 3.420985 -0.040313
C 6.135882 -0.424582 1.341763
C -4.985851 0.561671 0.183220
C -4.987690 -0.767420 -0.453854
C 2.163028 3.384204 -1.934860
C 5.833463 -2.624865 0.308862
C 2.880593 4.105545 -0.948841
C 6.532237 -1.767961 1.197184
C -3.441324 1.909996 1.560149
C -3.515107 -2.740347 -0.613846
C -5.967317 1.572047 0.246684
C -6.016397 -1.454998 -1.126246
C -4.433891 2.916243 1.631127
C -4.559508 -3.429171 -1.276369
C -5.684058 2.751201 0.977431
C -5.792829 -2.787172 -1.550535
H 3.093723 -0.653240 -2.068666
H 1.178814 0.572472 1.037183
H 2.484259 -0.540228 1.582517
H 0.875103 -1.137181 -2.273727
H 0.185902 0.195282 -1.278090
H 0.913062 -2.446940 1.633202
H 0.208891 -1.096587 2.591493
H -1.360046 -1.721591 -1.274556
H -0.064988 -2.836342 -0.724888
H 1.714052 1.423335 -2.753752
H 4.167675 -2.788437 -1.086313
H 4.303810 3.950928 0.711966
H 6.658197 0.262877 2.013648
H 1.534326 3.915018 -2.657067
H 6.143501 -3.668657 0.194044
H 2.805881 5.197062 -0.899806
H 7.385357 -2.146102 1.770749
H -2.470786 2.032515 2.050371
H -2.588019 -3.270300 -0.379030
H -6.934138 1.453835 -0.255862
H -6.986520 -0.976664 -1.301458
H -4.237135 3.835765 2.193973
H -4.413094 -4.472806 -1.576389
H -6.435330 3.546657 1.039184
H -6.584656 -3.334001 -2.074567


