%chk=000005275.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005275

1 1
 O    6.318100       2.608800      0.3802000    
 O   -5.781500       1.497600      0.3311000    
 O    4.857100       2.228200      -1.318500    
 N    1.474000      -1.180200      0.4305000    
 N   0.1750000     -0.4853000      0.5493000    
 N    2.879400      -2.936600     -0.3371000    
 C    2.624500     -0.5504000       1.115400    
 C    3.309800      0.4199000      0.1573000    
 C    4.500900       1.122100      0.7993000    
 C    1.620900      -2.306200     -0.2485000    
 C  -0.8384000      -1.094800     -8.8500001E-02
 C   -2.112400     -0.4259000      2.0500001E-02
 C   0.5307000      -2.879100     -0.8823000    
 C  -0.7129000      -2.270400     -0.8033000    
 C   -2.978800     -0.7341000       1.071700    
 C   -2.484400      0.5320000     -0.9257000    
 C    5.218900       2.031800     -0.1656000    
 C   -4.210600     -8.8000000E-02   1.176100    
 C   -3.716100       1.178100     -0.8211000    
 C   -4.579300      0.8681000      0.2298000    
 C   -6.094800       2.464300     -0.6706000    
 H    2.196700     -7.9999998E-04   1.962600    
 H    3.287800      -1.307200       1.539700    
 H    2.583300       1.164900     -0.1919000    
 H    3.640700     -0.1187000     -0.7394000    
 H    4.163500       1.724400       1.649800    
 H    5.219100      0.3751000       1.155600    
 H   0.6355000      -3.803500      -1.444200    
 H   -1.564600      -2.724100      -1.302400    
 H   -2.707000      -1.476700       1.818400    
 H   -1.822300      0.7851000      -1.750800    
 H    3.707600      -2.528700      6.9600001E-02
 H    2.902700      -3.926200     -0.5512000    
 H   -4.879000     -0.3337000       1.996900    
 H   -3.939200       1.909700      -1.590100    
 H    6.778200       3.195800     -0.2569000    
 H   -7.086100       2.864900     -0.4343000    
 H   -6.163300       2.007200      -1.663500    
 H   -5.395900       3.307400     -0.6489000    


%chk=000005275-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005275

1 1
O 6.307908 2.707701 -0.477538
O -5.996343 1.252962 -0.370136
O 5.944267 0.599901 -1.390991
N 1.428023 -1.003838 0.548863
N 0.175365 -0.423124 0.454230
N 2.983754 -2.806498 0.337825
C 2.480258 -0.046165 1.004863
C 3.341948 0.480079 -0.163650
C 4.411138 1.477895 0.335468
C 1.714351 -2.312138 0.239582
C -0.870137 -1.197784 0.042044
C -2.186356 -0.551022 -0.057695
C 0.614435 -3.139242 -0.177398
C -0.649719 -2.593767 -0.273815
C -3.361971 -1.290498 -0.396822
C -2.320895 0.846378 0.186545
C 5.604840 1.518150 -0.611926
C -4.607764 -0.662562 -0.489529
C -3.563748 1.489931 0.095365
C -4.721883 0.734676 -0.246540
C -6.206740 2.694683 -0.138495
H 1.932910 0.774979 1.491339
H 3.100239 -0.545481 1.775037
H 2.684849 0.971477 -0.903346
H 3.857774 -0.339933 -0.698092
H 4.010820 2.497613 0.460806
H 4.809838 1.177736 1.326935
H 0.803104 -4.188180 -0.421328
H -1.481614 -3.219841 -0.600119
H -3.323165 -2.367882 -0.585884
H -1.431521 1.426385 0.448210
H 3.796647 -2.227767 0.539896
H 3.154416 -3.789278 0.128014
H -5.511046 -1.222525 -0.746296
H -3.629463 2.564490 0.286123
H 7.109456 2.711150 -1.069353
H -7.281890 2.849511 -0.300089
H -5.626350 3.297223 -0.860945
H -5.937937 2.969405 0.897843


