%chk=000050757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050757

0 1
 O   -1.326900      0.3041000     -0.2285000    
 O   -2.195900      0.2305000      -2.358900    
 N    2.317000      0.7952000     -8.3099999E-02
 N   -7.339600     -0.5754000       1.425100    
 C    4.732600      0.9999000      0.5681000    
 C    5.239900     -0.2070000     -0.2582000    
 C    3.264500      0.8604000       1.024100    
 C    4.996200       2.295600     -0.2361000    
 C    5.127400      -1.582000      0.4108000    
 C    5.727200      -2.715800     -0.4211000    
 C    4.540400       3.564700      0.4704000    
 C   0.9585000      0.6107000      0.4070000    
 C    5.500900      -4.067400      0.2393000    
 C  -1.9600000E-02  0.4997000     -0.7516000    
 C   -2.326500      0.1845000      -1.145600    
 C   -3.635900     -1.3300000E-02 -0.4743000    
 C   -4.795600     -0.1575000      -1.236000    
 C   -3.706400     -5.5599999E-02  0.9181000    
 C   -6.025600     -0.3437000     -0.6054000    
 C   -4.936500     -0.2418000       1.548800    
 C   -6.096000     -0.3858000      0.7872000    
 H    5.343800       1.050200       1.480000    
 H    4.720100     -0.2409000      -1.224100    
 H    6.298400     -3.5500001E-02 -0.4964000    
 H    3.009300       1.701800       1.679200    
 H    3.173000     -3.6899999E-02   1.648000    
 H    6.073200       2.377700     -0.4300000    
 H    4.507200       2.241700      -1.216500    
 H    5.622200      -1.548200       1.389100    
 H    4.071300      -1.809800      0.5947000    
 H    5.273400      -2.724300      -1.418900    
 H    6.802300      -2.549800     -0.5541000    
 H    2.560500      2.3100000E-02 -0.7020000    
 H    3.450000       3.626500      0.5292000    
 H    4.886300       4.443900     -8.2900003E-02
 H    4.950600       3.620600       1.483500    
 H   0.8831000     -0.2940000       1.023600    
 H   0.6604000       1.451100       1.046200    
 H    4.432100      -4.276500      0.3506000    
 H    5.941100      -4.864000     -0.3685000    
 H    5.963300      -4.101400       1.230900    
 H  -1.2000001E-03   1.417500      -1.352100    
 H   0.2444000     -0.3514000      -1.391400    
 H   -4.761900     -0.1277000      -2.321900    
 H   -2.829200      5.1800001E-02   1.549700    
 H   -6.922200     -0.4551000      -1.209800    
 H   -4.978900     -0.2732000       2.634700    
 H   -7.391500     -0.6040000       2.434600    
 H   -8.181000     -0.6779000      0.8734000    


%chk=000050757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050757

0 1
O -1.384394 0.299694 -0.114752
O -2.209956 0.235422 -2.296580
N 2.329556 0.578794 0.019820
N -7.601772 -0.468109 1.291639
C 4.767953 0.993994 0.503115
C 5.275606 -0.213471 -0.337068
C 3.345583 0.767302 1.080100
C 4.863369 2.301967 -0.329390
C 5.248600 -1.581447 0.382674
C 5.903905 -2.709017 -0.448172
C 4.651774 3.597164 0.483680
C 0.941866 0.457556 0.511866
C 5.858413 -4.082174 0.256107
C -0.022261 0.480935 -0.678095
C -2.424433 0.191842 -1.056110
C -3.745154 0.024302 -0.412302
C -4.893882 -0.100424 -1.240903
C -3.912194 -0.018474 0.999029
C -6.170133 -0.263133 -0.685056
C -5.184781 -0.181035 1.566345
C -6.338500 -0.306717 0.733151
H 5.442954 1.092948 1.382445
H 4.695696 -0.279552 -1.282725
H 6.319123 0.002105 -0.647204
H 3.049683 1.654415 1.672693
H 3.374123 -0.089371 1.798730
H 5.862289 2.337073 -0.810853
H 4.112991 2.252952 -1.141883
H 5.772618 -1.495778 1.357800
H 4.204191 -1.872839 0.618756
H 5.395754 -2.779015 -1.432016
H 6.957247 -2.436041 -0.663423
H 2.576810 -0.206711 -0.598544
H 3.624869 3.661404 0.886911
H 4.811234 4.489912 -0.148939
H 5.356870 3.657297 1.335375
H 0.754505 -0.463270 1.116512
H 0.728474 1.322127 1.167993
H 4.814689 -4.392741 0.452889
H 6.334696 -4.869014 -0.357349
H 6.385407 -4.046467 1.228479
H 0.031348 1.439887 -1.221921
H 0.181059 -0.335678 -1.397489
H -4.756719 -0.066133 -2.327003
H -3.031059 0.077652 1.639740
H -7.046340 -0.357605 -1.337888
H -5.299577 -0.212098 2.656760
H -7.727134 -0.497734 2.299498
H -8.424764 -0.557396 0.702458


