%chk=000028406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028406

0 1
 O    2.465800      -1.031800      -1.502600    
 O    3.578900     -0.8639000      0.6282000    
 O   -1.091400       2.849900      -1.070000    
 N   -2.598600     -9.8600000E-02  0.5861000    
 N   -3.263900      -2.249200       1.126400    
 N   -3.365000      -1.657900      -1.072500    
 C   -1.263800       1.858500     -4.8799999E-02
 C   2.9300001E-02   1.145700      0.1663000    
 C    1.780900     -0.2528000     -0.6215000    
 C   0.5840000      0.3879000     -0.8679000    
 C    2.416500     -0.1571000      0.5953000    
 C   -2.397400      0.9080000     -0.4618000    
 C   0.6789000       1.243500       1.409500    
 C    1.890300      0.5846000       1.632800    
 C    3.604100      -1.414900     -0.7042000    
 C   -3.048400      -1.251800      0.2047000    
 H   -1.559600       2.390300      0.8640000    
 H   0.1089000      0.3045000      -1.839100    
 H   -2.162000      0.4876000      -1.445000    
 H   -3.321700       1.485200     -0.5891000    
 H   0.2459000       1.833500       2.213700    
 H    2.394000      0.6571000       2.590000    
 H    4.516300      -1.074500      -1.207600    
 H    3.629500      -2.508300     -0.6313000    
 H   -1.941700       3.309600      -1.176500    
 H   -3.075500      -2.100900       2.111900    
 H   -3.614700      -3.159800      0.8506000    
 H   -3.703100      -2.598900      -1.244800    
 H   -3.314800      -1.048200      -1.879400    


%chk=000028406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028406

0 1
O 3.362368 -0.085946 -1.634990
O 3.654702 -1.225980 0.453914
O -0.975044 2.582258 -1.487848
N -2.862478 0.118754 0.619440
N -3.717467 -1.728695 1.786369
N -3.840798 -1.779063 -0.553890
C -1.205850 1.699569 -0.329648
C 0.088595 0.940768 -0.071046
C 2.241184 0.145259 -0.786495
C 1.093885 0.882314 -1.079384
C 2.415410 -0.525540 0.441443
C -2.412248 0.754873 -0.624722
C 0.267134 0.267838 1.164107
C 1.440535 -0.485941 1.440778
C 4.362902 -0.751607 -0.763925
C -3.443807 -1.059354 0.585201
H -1.477379 2.295972 0.566266
H 0.961097 1.416760 -2.021344
H -2.097541 0.046874 -1.428225
H -3.230190 1.388133 -1.043533
H -0.529094 0.322260 1.912354
H 1.576413 -1.008032 2.391347
H 5.132904 -0.012535 -0.467117
H 4.782035 -1.619435 -1.295639
H -1.797832 3.106116 -1.657052
H -3.393493 -1.255378 2.627794
H -4.549512 -2.311877 1.858895
H -3.894902 -2.795130 -0.516900
H -3.749831 -1.345932 -1.468749


