%chk=000053644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053644

0 1
 O    1.628300      -1.866800     -0.1742000    
 N    2.905700      0.6741000      0.1824000    
 N   -3.036600       1.591700     -0.1562000    
 C    1.463900      0.5816000     -0.1481000    
 C   0.9154000     -0.7841000      0.4263000    
 C   0.6293000       1.821400      0.3454000    
 C  -0.5660000     -0.9329000      0.1676000    
 C  -0.8305000       1.574400      0.1477000    
 C   -1.308500      0.2498000      7.5800002E-02
 C    3.617900     -0.4956000     -0.3649000    
 C    3.014200      -1.795100      0.1553000    
 C   -2.676600      0.2620000     -0.1125000    
 C   -1.924100       2.395400      2.7000001E-03
 C    3.526600       1.901100     -0.3200000    
 C   -1.282700      -2.131000      9.0599999E-02
 C   -3.403200     -0.9245000     -0.2137000    
 C   -2.673100      -2.121500     -0.1043000    
 H    1.365000      0.5416000      -1.245300    
 H    1.057400     -0.8205000       1.516200    
 H   0.9163000       2.721500     -0.2094000    
 H   0.8212000       2.001200       1.410300    
 H    4.675100     -0.4635000     -7.6600000E-02
 H    3.567600     -0.4865000      -1.461800    
 H    3.511800      -2.649900     -0.3140000    
 H    3.141400      -1.894600       1.240200    
 H   -2.024100       3.471500     -5.5999998E-03
 H    3.383000       2.025200      -1.399200    
 H    4.603900       1.899400     -0.1167000    
 H    3.130800       2.783400      0.1923000    
 H  -0.7688000      -3.084200      0.1838000    
 H   -3.979300       1.932800     -0.2837000    
 H   -4.477100     -0.9296000     -0.3606000    
 H   -3.204000      -3.069000     -0.1670000    


%chk=000053644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053644

0 1
O 1.626583 -1.927293 -0.104267
N 2.901897 0.672930 0.134332
N -3.095596 1.622151 -0.127306
C 1.444373 0.576423 -0.183319
C 0.901941 -0.762930 0.431274
C 0.656300 1.815461 0.351280
C -0.579854 -0.949109 0.173890
C -0.827235 1.592496 0.168768
C -1.323409 0.245873 0.093527
C 3.632573 -0.515701 -0.382253
C 3.056679 -1.804656 0.215916
C -2.735156 0.266363 -0.094763
C -1.936784 2.422413 0.025637
C 3.538145 1.921918 -0.338663
C -1.282233 -2.159442 0.043392
C -3.453240 -0.947272 -0.214589
C -2.701042 -2.144054 -0.147751
H 1.283217 0.512008 -1.291250
H 1.096387 -0.703142 1.529527
H 0.983812 2.728493 -0.176990
H 0.915930 1.948380 1.422119
H 4.698489 -0.424969 -0.097708
H 3.577989 -0.578202 -1.498835
H 3.537247 -2.696689 -0.219139
H 3.195913 -1.800991 1.318389
H -2.011612 3.508546 0.015107
H 3.425997 2.086269 -1.440126
H 4.617782 1.881067 -0.108432
H 3.121162 2.796275 0.186804
H -0.741821 -3.109828 0.076926
H -4.037697 1.984020 -0.254623
H -4.538916 -0.977465 -0.358219
H -3.227619 -3.100542 -0.245854


