%chk=000178984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178984

0 1
 O   -2.019100      -1.796000      0.6278000    
 O    2.247000      -1.258600       1.125300    
 N    1.178200     -7.2600000E-02 -0.2148000    
 N    2.362700     -0.4320000      0.2151000    
 C   -1.910900     -0.5611000     -8.2099997E-02
 C   -1.535200      0.5442000      0.9134000    
 C   -1.201800       1.897400      0.2832000    
 C   -1.005200     -0.7517000      -1.304800    
 C   0.2975000       2.206100      0.1893000    
 C   0.4715000      -1.071100      -1.019300    
 C    1.115400       1.295300     -0.7332000    
 H   -2.917600     -0.3355000     -0.4569000    
 H  -0.7417000      0.2099000       1.592500    
 H   -2.403800      0.6793000       1.573600    
 H   -1.644300       2.677700      0.9167000    
 H   -1.676600       2.006500     -0.6983000    
 H   -1.084900      0.1217000      -1.960900    
 H   -1.399600      -1.592200      -1.892300    
 H   0.4043000       3.236000     -0.1753000    
 H   0.7335000       2.197500       1.197000    
 H   0.4971000      -2.049700     -0.5198000    
 H   0.9864000      -1.205700      -1.980800    
 H   0.7147000       1.339200      -1.753100    
 H    2.122200       1.730800     -0.8197000    
 H   -2.336700      -2.469500      2.6000000E-03


%chk=000178984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178984

0 1
O -2.126680 -1.798676 0.621168
O 2.500518 -1.484908 0.785758
N 1.269531 -0.016875 -0.403991
N 2.323787 -0.247274 0.465434
C -1.960724 -0.545897 -0.147877
C -1.536793 0.501408 0.897777
C -1.224536 1.909836 0.315348
C -0.984966 -0.756402 -1.330627
C 0.280623 2.252378 0.194335
C 0.451923 -1.137532 -0.934375
C 1.119595 1.402961 -0.791737
H -2.942040 -0.242250 -0.579404
H -0.666043 0.109718 1.454502
H -2.362674 0.565855 1.629545
H -1.680480 2.675313 0.971862
H -1.717464 2.036569 -0.671818
H -1.001214 0.136254 -1.985144
H -1.378332 -1.584237 -1.956650
H 0.382614 3.309424 -0.126020
H 0.755068 2.175722 1.192180
H 0.440974 -1.916383 -0.148953
H 0.982903 -1.574446 -1.805088
H 0.692620 1.447771 -1.809350
H 2.138829 1.825259 -0.839800
H -2.503943 -2.497689 0.028126


