%chk=000048300.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048300

1 1
 O    1.737600      0.5761000      0.6703000    
 O    1.967100       1.875600      -1.230400    
 N   0.7571000      -2.722100     -3.0700000E-02
 N    3.873000       1.271000     -4.2199999E-02
 C   0.6011000      -1.501500     -0.9262000    
 C   -3.848300      0.6158000     -0.1308000    
 C  -0.2186000     -0.4128000     -0.2988000    
 C   -2.371800      0.6012000      7.8100003E-02
 C  -0.6155000      -3.300400      0.2824000    
 C    1.598600      -3.770400     -0.7443000    
 C    1.444100      -2.316300       1.265200    
 C   -1.595600     -0.4048000     -0.4975000    
 C   0.3903000      0.5744000      0.4692000    
 C   -4.307200       1.930200     -0.8351000    
 C   -4.612900      0.5177000       1.225900    
 C   -4.413500     -0.5476000      -1.011700    
 C   -1.767100       1.593700      0.8492000    
 C  -0.3861000       1.580400       1.044700    
 C    2.494800       1.293400     -0.2835000    
 C    4.784300       1.966200     -0.9399000    
 C    4.488600      0.5802000       1.086200    
 H   0.1369000      -1.840800      -1.862100    
 H    1.606800      -1.157200      -1.193800    
 H   -1.150900      -3.469800     -0.6563000    
 H  -0.4674000      -4.255100      0.7980000    
 H   -1.163000      -2.628100      0.9474000    
 H    2.579100      -3.337300     -0.9630000    
 H    1.704300      -4.639200     -8.8000000E-02
 H    1.088100      -4.051900      -1.670100    
 H    2.400400      -1.846400       1.024300    
 H   0.7917000      -1.670200       1.856000    
 H    1.631100      -3.230200       1.839600    
 H   -2.029100      -1.183800      -1.114400    
 H   -3.804800       2.049100      -1.802400    
 H   -4.080400       2.817300     -0.2338000    
 H   -5.388500       1.929500      -1.015200    
 H   -4.394200       1.367900       1.881300    
 H   -5.698100      0.4994000       1.071700    
 H   -4.333700     -0.3955000       1.764500    
 H   -4.204200      -1.527200     -0.5663000    
 H   -3.992900     -0.5264000      -2.023900    
 H   -5.502600     -0.4699000      -1.116600    
 H   -2.347200       2.388700       1.309000    
 H   7.8500003E-02   2.356300       1.647300    
 H    5.324400       2.729200     -0.3720000    
 H    4.251400       2.447400      -1.763800    
 H    5.494700       1.242500      -1.350000    
 H    5.133300     -0.2137000      0.6981000    
 H    3.747900      0.1410000       1.756600    
 H    5.091400       1.297400       1.651000    


%chk=000048300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048300

1 1
O 1.853412 0.464835 0.646302
O 2.428422 0.664556 -1.643286
N 0.729734 -2.946642 -0.194912
N 3.913756 1.356469 0.045627
C 0.525334 -1.629795 -1.039456
C -3.931314 0.716109 -0.028277
C -0.224461 -0.530073 -0.330516
C -2.398402 0.600918 0.127956
C -0.607936 -3.628031 0.064621
C 1.625443 -3.877081 -1.006336
C 1.399924 -2.634372 1.139057
C -1.637961 -0.432685 -0.467345
C 0.442227 0.481543 0.408253
C -4.273370 2.077437 -0.708185
C -4.595303 0.663324 1.381876
C -4.526404 -0.423722 -0.893587
C -1.685814 1.575389 0.882130
C -0.286502 1.522564 1.016738
C 2.740365 0.852925 -0.438075
C 4.971810 1.731700 -0.917519
C 4.198060 1.625813 1.468942
H -0.018496 -1.959878 -1.941276
H 1.531155 -1.295297 -1.339577
H -1.062806 -3.908373 -0.898035
H -0.438196 -4.528775 0.675003
H -1.266066 -2.928605 0.599470
H 2.610952 -3.404475 -1.133717
H 1.734109 -4.834428 -0.473466
H 1.168247 -4.048463 -1.992925
H 2.322728 -2.067257 0.954046
H 0.719967 -2.020090 1.745841
H 1.619590 -3.583481 1.652874
H -2.148022 -1.178772 -1.086468
H -3.817541 2.148158 -1.712321
H -3.919751 2.937554 -0.112402
H -5.368239 2.176255 -0.819494
H -4.240434 1.478276 2.037580
H -5.690886 0.767936 1.284240
H -4.386963 -0.297280 1.888210
H -4.348936 -1.421104 -0.447458
H -4.121876 -0.416585 -1.923072
H -5.619672 -0.291162 -0.971629
H -2.226874 2.399277 1.358422
H 0.254899 2.286027 1.583481
H 5.179318 2.814932 -0.847562
H 4.637359 1.496606 -1.937986
H 5.901661 1.177065 -0.695787
H 5.096802 1.065354 1.786375
H 3.346937 1.323987 2.091541
H 4.393014 2.704417 1.615283


