%chk=000029817.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029817

0 1
 O    4.853800      -1.699400      -1.359600    
 N  -0.6933000       1.609200     -0.5325000    
 C    1.366200       1.564100     -0.1080000    
 C   0.4890000       1.134600      -1.292500    
 C   8.0700003E-02   1.411100      0.7174000    
 C    2.547400      0.6337000      0.2598000    
 C    1.915300       2.974000     -0.1893000    
 C   -1.774600      0.6376000     -0.6191000    
 C   -2.987200       1.088700      0.1989000    
 C    3.175300     -0.1241000     -0.7289000    
 C    2.985100      0.5555000       1.582000    
 C   -4.107900      9.2399999E-02  0.1454000    
 C    4.241000     -0.9600000     -0.3952000    
 C    4.050600     -0.2804000       1.915500    
 C    4.678700      -1.038000      0.9270000    
 C   -5.070900      0.1924000     -0.8526000    
 C   -4.173300     -0.9222000       1.094000    
 C   -6.112800     -0.7337000     -0.9026000    
 C   -5.215100      -1.848500       1.043800    
 C   -6.184800      -1.754100      4.5499999E-02
 C    5.936900      -2.532700     -0.9489000    
 H   0.6606000       1.671300      -2.231900    
 H   0.4898000      5.9099998E-02  -1.516700    
 H  -3.6200002E-02  0.4322000       1.202800    
 H  -9.1300003E-02   2.181900       1.476600    
 H    2.325400       3.308400      0.7708000    
 H    2.709000       3.053400     -0.9415000    
 H    1.140900       3.698000     -0.4694000    
 H   -2.081600      0.5501000      -1.670200    
 H   -1.464500     -0.3713000     -0.3117000    
 H   -3.344300       2.062500     -0.1624000    
 H   -2.704600       1.251800       1.247400    
 H    2.858400     -6.3600004E-02  -1.766400    
 H    2.506300       1.141700       2.361600    
 H    4.391000     -0.3401000       2.945300    
 H    5.499800      -1.665900       1.255500    
 H   -5.023500      0.9820000      -1.597500    
 H   -3.422200      -1.006500       1.874500    
 H   -6.867500     -0.6608000      -1.680200    
 H   -5.271000      -2.643600       1.781600    
 H   -6.995700      -2.475500      6.3999998E-03
 H    5.605900      -3.306400     -0.2479000    
 H    6.770600      -1.943000     -0.5532000    
 H    6.305300      -3.047500      -1.842300    


%chk=000029817-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029817

0 1
O 5.149164 -1.538634 -1.374165
N -0.685414 1.363878 -0.538845
C 1.436315 1.455181 -0.139523
C 0.533480 0.966123 -1.333819
C 0.126623 1.372538 0.733184
C 2.600476 0.567211 0.274211
C 1.908370 2.916627 -0.335630
C -1.866062 0.487412 -0.604199
C -3.033438 1.048747 0.249436
C 3.361519 -0.120606 -0.694787
C 2.975166 0.464035 1.642447
C -4.255790 0.145488 0.199042
C 4.478871 -0.903835 -0.313681
C 4.086618 -0.316866 2.016631
C 4.851968 -1.009382 1.048396
C -5.246693 0.319757 -0.801876
C -4.409983 -0.922988 1.120250
C -6.359082 -0.548201 -0.882487
C -5.520352 -1.794050 1.044815
C -6.499478 -1.610240 0.041019
C 6.310338 -2.365810 -1.041196
H 0.638914 1.490805 -2.300575
H 0.613628 -0.133200 -1.491279
H 0.062019 0.412310 1.295487
H -0.085479 2.218014 1.412205
H 2.349541 3.316103 0.596195
H 2.679281 2.975064 -1.125954
H 1.053855 3.554295 -0.625291
H -2.187079 0.417624 -1.661679
H -1.632230 -0.554885 -0.262974
H -3.270682 2.061289 -0.125428
H -2.683316 1.161428 1.294141
H 3.107457 -0.067667 -1.758954
H 2.394001 0.990823 2.408058
H 4.367339 -0.394781 3.073318
H 5.709915 -1.611634 1.361159
H -5.147021 1.145315 -1.518073
H -3.657151 -1.068564 1.905490
H -7.116566 -0.394668 -1.659827
H -5.624139 -2.611519 1.767710
H -7.362809 -2.282652 -0.018110
H 6.029562 -3.208604 -0.379534
H 7.108117 -1.767069 -0.559520
H 6.670924 -2.755809 -2.004488


