%chk=000075946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075946

0 1
 O   -1.343800       1.690500      -1.176000    
 N   -1.996400     -0.2096000      1.8999999E-02
 C   -3.429000     -2.6300000E-02 -0.1669000    
 C   -1.604000      -1.384100      0.7950000    
 C   -1.051200      0.6858000     -0.5142000    
 C   0.3622000      0.4441000     -0.2720000    
 C   -3.999100      0.8108000      0.9621000    
 C   -1.407600      -2.575000     -0.1232000    
 C    1.099500     -0.3347000      -1.163700    
 C   0.9806000      0.9913000      0.8523000    
 C    3.073900     -1.8999999E-02  0.1927000    
 C    2.455200     -0.5663000     -0.9313000    
 C    2.336400      0.7599000       1.084700    
 C    4.523300     -0.2674000      0.4415000    
 H   -3.596600      0.4940000      -1.116200    
 H   -3.926200     -0.9998000     -0.2279000    
 H  -0.6834000      -1.194500       1.352500    
 H   -2.379700      -1.601100       1.538100    
 H   -3.857900      0.3226000       1.931900    
 H   -3.515500       1.792200       1.010700    
 H   -5.072000      0.9673000      0.8139000    
 H   -2.337100      -2.827300     -0.6445000    
 H  -0.6461000      -2.401400     -0.8850000    
 H   -1.104900      -3.451000      0.4595000    
 H   0.6328000     -0.7556000      -2.050400    
 H   0.4154000       1.599800       1.553700    
 H    3.019900      -1.171300      -1.635800    
 H    2.807200       1.193000       1.963300    
 H    4.745000     -0.2725000       1.514100    
 H    4.830500      -1.241800      4.6599999E-02
 H    5.125400      0.5110000     -3.7599999E-02


%chk=000075946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075946

0 1
O -1.414662 1.938452 -0.364758
N -1.966697 -0.295197 -0.034531
C -3.392499 0.069949 -0.245824
C -1.710433 -1.622470 0.572764
C -1.034764 0.739972 -0.135709
C 0.437121 0.441110 0.013276
C -4.052596 0.663107 1.018671
C -1.903264 -2.805681 -0.401096
C 1.084455 -0.660268 -0.600281
C 1.231216 1.392925 0.705367
C 3.278756 0.114122 0.213155
C 2.485126 -0.816486 -0.502879
C 2.624411 1.223396 0.814553
C 4.784300 -0.050495 0.321709
H -3.428927 0.814178 -1.058606
H -3.930040 -0.836868 -0.578157
H -0.687984 -1.631995 0.982662
H -2.400864 -1.746089 1.432701
H -4.002695 -0.037328 1.872992
H -3.546868 1.602054 1.297707
H -5.117999 0.885378 0.824610
H -2.933528 -2.843132 -0.798103
H -1.213648 -2.735592 -1.260443
H -1.709402 -3.760289 0.121927
H 0.503352 -1.381173 -1.185075
H 0.737079 2.269785 1.136368
H 2.968117 -1.668187 -0.996839
H 3.218118 1.965262 1.362943
H 5.109731 -0.084527 1.378347
H 5.127912 -0.977641 -0.168019
H 5.313976 0.797329 -0.152532


