%chk=000129726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129726

0 1
 O    3.512600      -1.490100     -0.2498000    
 O    3.660500       1.241900      0.2186000    
 N   -1.046000       1.627400      0.2766000    
 N   -4.295000      0.4985000      7.8100003E-02
 N   -3.466800       1.548700      0.2588000    
 N   -4.366800      -1.825200     -0.3188000    
 C  -4.5600001E-02 -0.6192000     -0.1057000    
 C   -2.326600     -0.3920000     -7.0600003E-02
 C   2.1199999E-02  0.8030000      0.1375000    
 C   -1.279700      -1.283300     -0.2213000    
 C   -2.248100       1.004500      0.1682000    
 C    1.136700      -1.361900     -0.2310000    
 C   -3.658800     -0.6957000     -0.1246000    
 C    1.282400       1.375300      0.2373000    
 C    2.379700     -0.7451000     -0.1236000    
 C    2.452100      0.6213000      0.1101000    
 C    4.051000      -2.059100      0.9424000    
 C    4.237300       1.750900     -0.9821000    
 H   -1.383800      -2.344600     -0.4029000    
 H    1.094400      -2.434400     -0.4154000    
 H    1.370300       2.445800      0.4215000    
 H   -5.292400      0.6684000      0.1052000    
 H   -3.917900      -2.722900     -0.4712000    
 H   -5.382200      -1.837300     -0.3225000    
 H    4.953600      -2.616800      0.6784000    
 H    3.332700      -2.749500       1.395900    
 H    4.320600      -1.274400       1.656300    
 H    4.411100      0.9425000      -1.699300    
 H    3.589500       2.513900      -1.425400    
 H    5.198000       2.209600     -0.7330000    


%chk=000129726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129726

0 1
O 3.529686 -1.519878 -0.346067
O 3.655450 1.298338 0.324343
N -1.155100 1.552759 0.433357
N -4.490255 0.527943 0.164101
N -3.581219 1.574647 0.437750
N -4.653367 -1.832210 -0.451210
C -0.111682 -0.662028 -0.142264
C -2.522015 -0.475797 -0.094853
C -0.054317 0.764622 0.228099
C -1.381211 -1.272384 -0.302244
C -2.364616 0.941021 0.274282
C 1.117990 -1.388048 -0.309210
C -3.932165 -0.688628 -0.152136
C 1.243108 1.377536 0.361084
C 2.347956 -0.768175 -0.148930
C 2.408655 0.652252 0.163497
C 4.372645 -1.670196 0.864528
C 4.465531 1.392043 -0.913784
H -1.445475 -2.332593 -0.578483
H 1.099079 -2.455877 -0.555570
H 1.292288 2.441100 0.608240
H -5.480637 0.757506 0.222982
H -4.158553 -2.689178 -0.676692
H -5.668942 -1.848959 -0.456169
H 5.263388 -2.225991 0.533934
H 3.829133 -2.251417 1.633825
H 4.658282 -0.683247 1.269983
H 4.656497 0.389669 -1.337712
H 3.944797 2.025038 -1.657060
H 5.409072 1.870329 -0.609924


