%chk=000178549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178549

0 1
 O   -1.620600      0.5781000     -0.1027000    
 O    4.299900      -1.084800      -1.225000    
 O  -0.2255000      0.5431000       1.732900    
 N    1.857700       1.030400     -3.1999999E-03
 C   0.5252000       1.514100     -0.3700000    
 C   0.4558000       3.039300     -0.2425000    
 C    2.097300     -0.2892000     -0.5646000    
 C  -0.4575000      0.8350000      0.5664000    
 C  -0.9219000       3.598400     -0.5735000    
 C   -2.633600     -9.1100000E-02  0.6550000    
 C   -3.854100     -0.2996000     -0.2312000    
 C    3.464400     -0.7954000     -0.1933000    
 C   -4.984000     -0.9977000      0.5233000    
 C    4.081400      -1.040600       1.011300    
 C    5.379500      -1.510900      0.6998000    
 C   -6.197400      -1.163000     -0.3430000    
 C    5.463200      -1.519500     -0.6730000    
 C   -6.730100      -2.346600     -0.6667000    
 H   0.2963000       1.240200      -1.408300    
 H   0.7186000       3.349700      0.7770000    
 H    1.190500       3.498000     -0.9161000    
 H    2.560300       1.673600     -0.3695000    
 H    2.014300     -0.2639000      -1.658400    
 H    1.365300      -1.016900     -0.1944000    
 H   -1.670500       3.290200      0.1626000    
 H   -1.251700       3.273200      -1.565300    
 H  -0.8909000       4.692900     -0.5703000    
 H   -2.248200      -1.057800      0.9994000    
 H   -2.898900      0.5233000       1.523300    
 H   -4.190500      0.6725000     -0.6147000    
 H   -3.565100     -0.8832000      -1.115000    
 H   -5.265300     -0.4047000       1.401900    
 H   -4.634800      -1.969300      0.8937000    
 H    3.651600     -0.8997000       1.992700    
 H    6.156600      -1.806600       1.389600    
 H   -6.672000     -0.2590000     -0.7160000    
 H    6.239200      -1.792500      -1.373100    
 H   -7.613500      -2.398100      -1.293700    
 H   -6.298900      -3.277900     -0.3167000    


%chk=000178549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178549

0 1
O -1.502568 0.903359 -0.144057
O 3.069663 -1.742094 -1.540357
O -1.043189 2.248156 1.702510
N 1.509093 1.261336 -0.083461
C 0.466069 2.293012 -0.289837
C 0.972634 3.682608 0.148717
C 1.524054 0.124560 -1.020009
C -0.752848 1.861432 0.548691
C -0.046194 4.814147 -0.100295
C -2.657397 0.313141 0.599855
C -3.292197 -0.739755 -0.308913
C 2.482809 -0.928680 -0.542970
C -4.530720 -1.390519 0.366217
C 2.946270 -1.322153 0.702046
C 3.858876 -2.430645 0.490250
C -5.213872 -2.396104 -0.537475
C 3.906423 -2.659800 -0.872741
C -5.435371 -3.699746 -0.235046
H 0.150763 2.338056 -1.357293
H 1.224866 3.640582 1.225321
H 1.907459 3.892674 -0.409288
H 2.437266 1.652453 0.109161
H 1.799916 0.407938 -2.065321
H 0.495599 -0.282586 -1.069560
H -0.958477 4.660545 0.501779
H -0.335118 4.869683 -1.166898
H 0.381840 5.791938 0.183954
H -2.280980 -0.119121 1.545372
H -3.361646 1.128486 0.851090
H -3.591060 -0.266492 -1.263868
H -2.548007 -1.520395 -0.551746
H -5.251240 -0.587662 0.632567
H -4.232315 -1.879684 1.313639
H 2.657368 -0.873552 1.649578
H 4.404553 -2.981469 1.254031
H -5.545057 -2.010272 -1.515171
H 4.432550 -3.365108 -1.509539
H -5.937256 -4.375394 -0.936791
H -5.120460 -4.128875 0.724559


