%chk=000131920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131920

0 1
 O  -0.8503000      0.3395000      -1.856000    
 O    1.485100      -2.083400     -0.3005000    
 O    3.337400      -1.018000      0.5464000    
 N   0.2033000      0.3958000      0.2057000    
 N   -2.290300     -5.9000002E-03   1.391200    
 C   -2.270500      0.6002000      6.0600001E-02
 C    1.538400      0.3140000     -0.3696000    
 C   0.1081000      0.1900000       1.647200    
 C   -3.406300      6.0999999E-03 -0.7692000    
 C  -0.9186000      0.3968000     -0.6250000    
 C   -1.241700      0.5741000       2.218100    
 C    2.415000       1.538400     -2.7799999E-02
 C   -3.180700      -1.486800     -0.9972000    
 C   -4.751900      0.2481000     -8.8799998E-02
 C    2.231900     -0.9882000      1.5400000E-02
 C    3.780100       1.453400     -0.7172000    
 C    1.743900       2.875300     -0.3604000    
 C    2.067100      -3.349500      2.7100001E-02
 H   -2.425500       1.684200      0.1459000    
 H    1.455500      0.2810000      -1.463900    
 H   0.8867000      0.7657000       2.155900    
 H   0.2904000     -0.8732000       1.844400    
 H   -3.430100      0.5004000      -1.749200    
 H   -1.332200      0.2037000       3.244800    
 H   -1.351000       1.664500       2.264800    
 H    2.615700       1.553200       1.051400    
 H   -2.145200      -1.012300       1.329000    
 H   -3.277300      -2.074500     -7.8599997E-02
 H   -3.943500      -1.868300      -1.686800    
 H   -2.212400      -1.718100      -1.448400    
 H   -4.854400     -0.3027000      0.8521000    
 H   -5.568900     -7.6399997E-02 -0.7429000    
 H   -4.900900       1.313200      0.1184000    
 H    3.674500       1.204900      -1.778900    
 H    4.463900      0.7362000     -0.2608000    
 H    4.295600       2.419800     -0.6621000    
 H    2.399400       3.716200     -0.1096000    
 H    1.504400       2.938700      -1.427200    
 H   0.8165000       3.007700      0.2058000    
 H    1.369500      -4.133300     -0.2794000    
 H    2.226800      -3.424000       1.106900    
 H    3.008200      -3.485100     -0.5143000    


%chk=000131920-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131920

0 1
O -0.843551 0.611927 -1.792270
O 2.049235 -1.964929 -1.009294
O 2.467291 -1.421186 1.214617
N 0.126242 0.417104 0.321563
N -2.457028 0.421227 1.566563
C -2.389174 0.679984 0.111765
C 1.468926 0.272282 -0.309389
C 0.029771 0.382222 1.805989
C -3.418016 -0.178391 -0.685697
C -0.975998 0.548017 -0.528044
C -1.302465 0.997017 2.281226
C 2.462998 1.417906 0.049634
C -3.168322 -1.699744 -0.535268
C -4.864378 0.198728 -0.294229
C 2.049070 -1.094340 0.077041
C 3.776480 1.233051 -0.748092
C 1.828982 2.796165 -0.239771
C 2.568062 -3.331654 -0.744586
H -2.667183 1.744031 -0.054483
H 1.280981 0.278314 -1.397363
H 0.889864 0.933391 2.229552
H 0.115431 -0.663083 2.164411
H -3.249802 0.083210 -1.746902
H -1.414457 0.831828 3.367891
H -1.299715 2.090739 2.109060
H 2.710676 1.346974 1.128583
H -2.572553 -0.580986 1.771043
H -3.391743 -2.063341 0.487538
H -3.830159 -2.258094 -1.221800
H -2.125401 -1.966816 -0.786542
H -5.042998 0.026331 0.782334
H -5.592152 -0.401969 -0.870607
H -5.066028 1.266803 -0.498930
H 3.585217 1.272075 -1.837061
H 4.267553 0.269384 -0.519152
H 4.491421 2.038025 -0.499544
H 2.541816 3.605731 0.001500
H 1.554478 2.885061 -1.307141
H 0.912581 2.959277 0.355451
H 2.499723 -3.847143 -1.712199
H 1.948984 -3.831520 0.019167
H 3.611043 -3.282212 -0.389263


