%chk=000047068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047068

1 1
 O   -1.057600      -1.032900     -0.9765000    
 O   -1.844500     -0.2995000       1.084800    
 N    3.143500       1.210900     -7.5099997E-02
 N   -3.296700     -0.6179000     -0.6962000    
 C    2.251000     -2.9700000E-02  8.8000000E-03
 C    4.403500      0.8567000     -0.8597000    
 C    3.493800       1.660400       1.340600    
 C    2.451900       2.372900     -0.7849000    
 C    1.012500      6.8700001E-02 -0.5314000    
 C    2.775200      -1.122200      0.6146000    
 C   0.1995000      -1.062300     -0.4561000    
 C    1.961900      -2.253100      0.6900000    
 C   0.6740000      -2.223000      0.1547000    
 C   -2.061600     -0.6155000     -8.1299998E-02
 C   -4.520800     -0.2370000     -3.0700000E-02
 C   -4.736400       1.229200     -0.2080000    
 C   -4.849300       2.094300      0.8064000    
 H    4.108800      0.4650000      -1.838600    
 H    4.994400       1.770100     -0.9833000    
 H    4.995700      0.1236000     -0.3054000    
 H    4.108000      0.9010000       1.832200    
 H    4.066900       2.590500       1.269500    
 H    2.565000       1.832700       1.893800    
 H    1.566800       2.677800     -0.2167000    
 H    3.153100       3.215200     -0.8052000    
 H    2.224800       2.090700      -1.818300    
 H   0.5882000      0.9366000      -1.016600    
 H    3.770700      -1.170400       1.038400    
 H    2.331000      -3.157100       1.165700    
 H   4.5800000E-02  -3.107600      0.2168000    
 H   -3.343800     -0.8908000      -1.673300    
 H   -5.339100     -0.7946000     -0.4965000    
 H   -4.462500     -0.5212000       1.025400    
 H   -4.821300       1.607500      -1.223800    
 H   -5.013100       3.148800      0.6133000    
 H   -4.779700       1.770100       1.838800    


%chk=000047068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047068

1 1
O -1.217897 -1.287605 0.127343
O -1.663627 1.040219 0.508969
N 3.176797 1.174496 0.210678
N -3.354862 -0.589493 0.390873
C 2.331730 -0.099111 0.072620
C 3.977161 1.399060 -1.080434
C 4.137943 1.023466 1.398566
C 2.329209 2.424942 0.454938
C 0.932358 -0.015509 0.177200
C 3.000877 -1.320515 -0.155080
C 0.179816 -1.212545 0.047766
C 2.224962 -2.495382 -0.280376
C 0.821866 -2.451558 -0.180301
C -2.075291 -0.134757 0.359569
C -4.510741 0.333536 0.519520
C -5.058178 0.777745 -0.826469
C -5.128010 2.072582 -1.218913
H 3.269328 1.490181 -1.917265
H 4.570342 2.320790 -0.974895
H 4.642328 0.542531 -1.253368
H 4.796894 0.161316 1.229804
H 4.736734 1.943062 1.489805
H 3.543238 0.859279 2.309073
H 1.755753 2.307149 1.385177
H 3.012527 3.282861 0.546312
H 1.647777 2.581983 -0.393031
H 0.384841 0.910382 0.349396
H 4.089676 -1.391745 -0.237909
H 2.724823 -3.451953 -0.457377
H 0.215394 -3.355891 -0.275749
H -3.511308 -1.587604 0.238471
H -5.287776 -0.196279 1.101293
H -4.181787 1.207171 1.106149
H -5.428641 -0.017942 -1.488891
H -5.554609 2.354265 -2.187654
H -4.770048 2.888774 -0.579611


