%chk=000070912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070912

0 1
 O    2.334300      0.9871000      0.8128000    
 O    1.430700       2.660000     -0.4107000    
 O    1.420600      -1.625600      -1.372900    
 N   0.3022000     -0.6749000      0.4346000    
 C   -2.491500      0.4874000      0.1847000    
 C   -1.186000       1.297000      0.3551000    
 C   0.1243000      0.6453000     -0.1119000    
 C   -2.688400      0.1538000      -1.299000    
 C   -2.530500     -0.8006000       1.004000    
 C    1.335800       1.542600      8.5600004E-02
 C   0.9383000      -1.702600     -0.2460000    
 C    1.010200      -2.969400      0.5637000    
 H   -3.319900       1.127600      0.5132000    
 H   -1.085100       1.551800       1.419500    
 H   -1.302800       2.259300     -0.1618000    
 H   7.2300002E-02  0.5186000      -1.201500    
 H   -2.641500       1.059000      -1.913500    
 H   -1.938900     -0.5527000      -1.669600    
 H   -3.672700     -0.3013000      -1.456300    
 H   -1.979700      -1.623800      0.5428000    
 H   -2.163600     -0.6391000       2.022400    
 H   -3.568300      -1.145200       1.088000    
 H   7.7200003E-02 -0.8133000       1.415600    
 H    1.129800      -3.824900     -0.1068000    
 H    1.867300      -2.915700       1.240300    
 H   9.6400000E-02  -3.112500       1.147200    
 H    3.105600       1.587400      0.8955000    


%chk=000070912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070912

0 1
O 2.154142 1.413428 1.092774
O 1.347307 2.647922 -0.702031
O 0.130155 -2.034277 -1.251997
N 0.625194 -0.686577 0.578986
C -2.467088 0.468313 0.098855
C -1.137741 1.165032 0.512238
C 0.186404 0.557490 -0.063962
C -2.640068 0.403963 -1.438363
C -2.678339 -0.927405 0.734333
C 1.265462 1.637004 0.023870
C 0.612092 -1.904279 -0.083054
C 1.186026 -3.081647 0.696929
H -3.262577 1.133876 0.499423
H -1.057771 1.192483 1.617885
H -1.185529 2.215358 0.162163
H 0.037413 0.326653 -1.134009
H -2.471545 1.391090 -1.908989
H -1.939057 -0.324031 -1.886926
H -3.663890 0.075812 -1.696283
H -2.016703 -1.680459 0.274176
H -2.491220 -0.910895 1.824619
H -3.720454 -1.261932 0.574440
H 1.086162 -0.606562 1.486837
H 0.373158 -3.791493 0.932492
H 1.909893 -3.614897 0.058283
H 1.682097 -2.786871 1.637767
H 2.812576 2.158202 1.134544


