%chk=000155346.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155346

0 1
 O   0.4385000       1.543300       1.005600    
 O    2.769400       1.586000       2.574100    
 N    3.029500     -0.2330000     -0.6400000    
 N   -3.469800     -0.4660000     -0.5215000    
 N   -3.937700      -3.519000       1.220200    
 C    3.100200      -1.654600     -0.9490000    
 C    2.899200     -1.7800000E-02  0.7947000    
 C    2.833200       1.469500       1.149800    
 C    3.246900      -1.818200      -2.465600    
 C    4.319200      -2.249200     -0.2357000    
 C    1.818800      -2.344600     -0.4663000    
 C    1.624600       2.181400      0.5461000    
 C  -0.6471000       1.585300      0.1719000    
 C   -1.607900      0.5546000      0.1630000    
 C   -2.692800      0.6546000     -0.7106000    
 C   -1.761600     -0.6638000      0.8820000    
 C  -0.8068000       2.674900     -0.6918000    
 C   -2.865600       1.737900      -1.579300    
 C   -2.915300      -1.268600      0.4390000    
 C   -1.899800       2.748000      -1.553200    
 C   -3.475000      -2.500800      0.8668000    
 H    2.235200      0.1809000      -1.126200    
 H    2.012800     -0.4956000       1.224000    
 H    3.759900     -0.4126000       1.344500    
 H    3.747300       1.978900      0.8220000    
 H    4.150800      -1.319800      -2.835200    
 H    3.315800      -2.875800      -2.745100    
 H    2.388900      -1.392000      -2.998900    
 H    4.177900      -2.378800      0.8425000    
 H    5.221300      -1.647700     -0.4008000    
 H    4.533100      -3.251400     -0.6283000    
 H   0.9203000      -1.816800     -0.8076000    
 H    1.761700      -3.361300     -0.8750000    
 H    1.762700      -2.458400      0.6211000    
 H    1.714100       2.177000     -0.5465000    
 H    1.606000       3.219500      0.8994000    
 H    3.578600       1.188300       2.938200    
 H   -1.094200      -1.051400       1.640800    
 H  -0.1123000       3.510500     -0.7008000    
 H   -4.325700     -0.6631000      -1.022200    
 H   -3.717000       1.796600      -2.248900    
 H   -2.008800       3.606900      -2.210700    


%chk=000155346-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155346

0 1
O 0.393519 1.084929 0.443710
O 2.479340 1.626214 2.595101
N 2.834132 -0.624018 -0.430414
N -4.081913 0.139484 -0.432635
N -4.827536 -2.983218 1.136687
C 3.499502 -1.905108 -0.837393
C 2.783055 -0.274398 1.004120
C 2.716497 1.262537 1.185989
C 3.245670 -2.057921 -2.357178
C 5.024708 -1.797057 -0.586770
C 2.922185 -3.142749 -0.086826
C 1.604530 1.928003 0.377227
C -0.759496 1.558116 -0.184288
C -1.909420 0.720514 -0.069779
C -3.136299 1.128744 -0.700116
C -2.143739 -0.536020 0.583795
C -0.863355 2.763628 -0.907168
C -3.253827 2.336406 -1.430306
C -3.485743 -0.876463 0.348198
C -2.100476 3.135136 -1.516037
C -4.216365 -2.017562 0.775124
H 1.888072 -0.567795 -0.835117
H 1.920636 -0.717512 1.547695
H 3.706958 -0.635943 1.494595
H 3.674502 1.701797 0.830226
H 3.648662 -1.185676 -2.901673
H 3.729376 -2.972290 -2.744305
H 2.161849 -2.131909 -2.572394
H 5.263819 -1.711970 0.489561
H 5.430306 -0.909433 -1.103135
H 5.539631 -2.697655 -0.967968
H 1.841034 -3.256380 -0.293915
H 3.431080 -4.072007 -0.404562
H 3.053100 -3.044588 1.006838
H 1.919575 2.025823 -0.679266
H 1.392763 2.925683 0.805942
H 3.126427 1.143696 3.169350
H -1.432209 -1.118458 1.163293
H -0.003869 3.430513 -1.013782
H -5.052115 0.139290 -0.740997
H -4.191594 2.640109 -1.904888
H -2.144470 4.079305 -2.070038


