%chk=000115878.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115878

0 1
 O   0.5568000       1.747000      0.9765000    
 O    3.330800       1.699100      9.3999997E-02
 N   -1.583600     -0.2625000      0.4315000    
 N  -0.4764000      -1.080800      0.6218000    
 C   -4.135800      0.3262000     -0.8422000    
 C   -2.840400       1.013700      -1.262400    
 C   -4.040900     -0.1651000      0.5991000    
 C   -1.624200      0.1287000     -0.9820000    
 C   -2.785200      -1.012100      0.8157000    
 C   0.7526000     -0.5995000      0.3527000    
 C    1.800400      -1.528600     -0.1990000    
 C    1.213000      0.6506000      0.5082000    
 C    2.999900     -0.6531000     -0.3668000    
 C    2.623100      0.7106000      7.9400003E-02
 C    4.209700     -0.9743000     -0.8267000    
 H   -4.979800       1.016200     -0.9496000    
 H   -4.328800     -0.5255000      -1.506000    
 H   -2.883300       1.257900      -2.329900    
 H   -2.737500       1.962700     -0.7207000    
 H   -4.024900      0.6967000       1.278400    
 H   -4.931700     -0.7524000      0.8489000    
 H   -1.665100     -0.7555000      -1.634200    
 H  -0.7480000      0.7092000      -1.289600    
 H   -2.730200      -1.284800       1.877000    
 H   -2.874900      -1.946100      0.2438000    
 H  -0.6035000      -2.078400      0.4748000    
 H    2.004900      -2.342600      0.5047000    
 H    1.480700      -1.943500      -1.161000    
 H    4.429800      -1.989200      -1.140400    
 H    5.004500     -0.2403000     -0.9014000    
 H    1.183000       2.491300      0.9555000    


%chk=000115878-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115878

0 1
O 0.528001 1.795281 0.378350
O 3.372599 1.768242 0.414652
N -1.606939 -0.363830 -0.078053
N -0.446973 -1.183998 -0.158292
C -4.382999 0.449498 -0.471253
C -3.221778 1.103881 -1.254342
C -3.873491 -0.089211 0.885701
C -2.049895 0.116667 -1.420794
C -2.679754 -1.046691 0.688687
C 0.822750 -0.667511 -0.059985
C 2.016258 -1.609948 -0.222258
C 1.259795 0.627105 0.189550
C 3.228052 -0.697116 -0.037523
C 2.718163 0.684512 0.214036
C 4.540137 -1.038359 -0.086926
H -5.199402 1.178076 -0.311573
H -4.806971 -0.385791 -1.067016
H -3.559331 1.438557 -2.253362
H -2.853359 1.991605 -0.707158
H -3.542633 0.755827 1.518279
H -4.678211 -0.621445 1.427556
H -2.365036 -0.742456 -2.068356
H -1.188466 0.614544 -1.897235
H -2.258942 -1.353279 1.661682
H -3.030399 -1.971500 0.155439
H -0.555441 -2.145919 -0.519133
H 1.992663 -2.416819 0.537164
H 2.020951 -2.094598 -1.219660
H 4.877174 -2.063696 -0.276053
H 5.303851 -0.267721 0.067649
H 1.214627 2.511691 0.520328


