%chk=000156889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156889

0 1
 O    5.011900       2.088600     -0.8506000    
 N   -2.103500      0.5246000     -0.1700000    
 C   0.7494000     -0.4727000     -0.9496000    
 C  -0.1654000     -0.9780000      0.1767000    
 C  -0.8595000      0.3516000      0.5774000    
 C   0.5444000      -1.833800       1.263200    
 C  -0.2530000      0.1772000      -2.023300    
 C    1.492600      -1.683600      -1.567900    
 C    1.712200      0.5890000     -0.2766000    
 C   -1.808100      0.1362000      -1.602400    
 C  -3.4699999E-02   1.077300       1.634000    
 C    1.302900      -3.001700      0.5997000    
 C    1.367000       1.250900      0.9718000    
 C   -3.221100     -0.2109000      0.3977000    
 C    2.191000      -2.509700     -0.5142000    
 C   -4.466200      5.6299999E-02 -0.3897000    
 C  -0.4658000      -2.381000       2.276300    
 C   -4.893500       1.537700     -0.4460000    
 C   -5.782300     -0.2152000      0.3683000    
 C    2.936800      0.9117000     -0.8765000    
 C   -6.349600       1.042900     -0.3218000    
 C    2.274200       2.127900       1.576600    
 C    3.503500      -2.778800     -0.5613000    
 C    3.819800       1.800200     -0.2566000    
 C    3.497100       2.393500      0.9647000    
 H  -0.8909000      -1.683800     -0.2549000    
 H   -1.399200     -6.7699999E-02   1.436900    
 H    1.285000      -1.249800       1.819400    
 H  -0.1531000     -0.3214000      -2.994600    
 H   2.0400001E-02   1.228800      -2.178200    
 H    2.186300      -1.365200      -2.354000    
 H   0.7659000      -2.338600      -2.068900    
 H   -2.358700      0.8103000      -2.268300    
 H   -2.163600     -0.8819000      -1.810000    
 H   8.0100000E-02  0.5651000       2.596600    
 H  -0.4598000       2.072300       1.811200    
 H   0.5900000      -3.725300      0.1830000    
 H    1.884200      -3.538500       1.359800    
 H   -3.036600      -1.292100      0.4336000    
 H   -3.387400      0.1177000       1.433400    
 H   -4.474800     -0.4186000      -1.381200    
 H  -0.9163000      -1.588300       2.879200    
 H   -1.271300      -2.932600       1.779600    
 H   2.6400000E-02  -3.068600       2.973100    
 H   -4.571500       2.148900      0.4059000    
 H   -4.656600       2.068300      -1.372000    
 H   -6.286200      -1.153900      0.1229000    
 H   -5.723100     -0.1213000       1.459100    
 H    3.215800      0.4726000      -1.829700    
 H   -7.013300       1.662000      0.2865000    
 H   -6.830900      0.8395000      -1.285300    
 H    2.024200       2.622200       2.511300    
 H    4.125100      -2.411200      -1.370800    
 H    3.985600      -3.371500      0.2086000    
 H    4.193100       3.081600       1.437500    
 H    5.078100       1.593600      -1.685300    


%chk=000156889-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156889

0 1
O 3.707586 3.011412 -1.195257
N -2.087169 -0.347072 -0.151420
C 0.639858 -0.977398 -0.824048
C -0.055961 -1.764994 0.332262
C -1.171143 -0.858908 0.921813
C 0.950502 -2.280365 1.406648
C -0.433437 -0.680139 -1.951766
C 1.754459 -1.886064 -1.441579
C 1.177090 0.368295 -0.282553
C -1.880181 -0.942111 -1.483397
C -0.528583 0.336514 1.659910
C 2.058083 -3.146852 0.736345
C 0.582358 0.996168 0.851260
C -3.497922 -0.236774 0.277528
C 2.732691 -2.425239 -0.415703
C -4.303051 0.806471 -0.509202
C 0.260307 -3.094818 2.524175
C -3.924980 2.319216 -0.341477
C -5.748445 1.143450 0.010659
C 2.217162 1.048600 -0.966248
C -5.454885 2.661000 -0.265625
C 1.048507 2.273620 1.254018
C 4.079248 -2.292925 -0.523529
C 2.670073 2.314866 -0.539804
C 2.084554 2.943778 0.579799
H -0.530611 -2.664748 -0.114858
H -1.762803 -1.454632 1.652772
H 1.455801 -1.406459 1.862805
H -0.224918 -1.306703 -2.841784
H -0.347359 0.376327 -2.260151
H 2.281918 -1.369223 -2.264220
H 1.226621 -2.746937 -1.906245
H -2.576782 -0.465018 -2.196097
H -2.111618 -2.039575 -1.510030
H -0.128104 0.000951 2.640173
H -1.316937 1.080797 1.884019
H 1.581540 -4.078195 0.356201
H 2.801431 -3.450344 1.497108
H -4.028530 -1.226159 0.226130
H -3.501473 0.064800 1.343797
H -4.345139 0.537195 -1.581898
H -0.438707 -2.482686 3.121797
H -0.310508 -3.943602 2.098793
H 1.012021 -3.511615 3.220419
H -3.404054 2.494526 0.617618
H -3.335272 2.787218 -1.145857
H -6.601204 0.686720 -0.519437
H -5.850399 0.933014 1.091958
H 2.690270 0.586018 -1.842057
H -5.774144 3.383266 0.503854
H -5.854945 2.986590 -1.242350
H 0.581336 2.756269 2.121783
H 4.541442 -1.768191 -1.368559
H 4.760065 -2.702554 0.232183
H 2.442350 3.928333 0.894091
H 4.058994 2.477689 -1.950467


