%chk=000046336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046336

0 1
 O   -2.435100     -0.1582000      0.2781000    
 O    2.436700     -0.1585000      0.2773000    
 O   6.9999998E-04  -2.412000     -0.3247000    
 O  -1.7400000E-02 -0.7811000      -1.806000    
 O   -3.704300       1.722000     -1.1800000E-02
 O    3.705600       1.721800     -1.2900000E-02
 N   6.9999998E-04  -1.221300     -0.6522000    
 N   -4.661300     -0.4081000      0.1532000    
 N    4.662600     -0.4081000      0.1534000    
 C   6.9999998E-04 -0.2164000      0.4497000    
 C   -1.258400      0.6422000      0.2712000    
 C    1.259800      0.6423000      0.2709000    
 C   6.0000003E-04  -1.012900       1.754600    
 C   -3.627100      0.5072000      0.1251000    
 C    3.628300      0.5070000      0.1240000    
 C   -6.047300     -0.1591000      3.1900000E-02
 C    6.048700     -0.1592000      3.2299999E-02
 C   -6.953300      -1.218600      8.4299996E-02
 C    6.954800      -1.218500      8.6300001E-02
 C   -6.509500       1.145800     -0.1396000    
 C    6.510800       1.145400     -0.1418000    
 C   -8.321200     -0.9732000     -3.5000000E-02
 C    8.322600     -0.9732000     -3.3700000E-02
 C   -7.877500       1.391200     -0.2587000    
 C    7.878700       1.390600     -0.2618000    
 C   -8.783300      0.3316000     -0.2065000    
 C    8.784600      0.3312000     -0.2077000    
 H   -1.221000       1.207800     -0.6693000    
 H   -1.319300       1.366500       1.093900    
 H    1.321000       1.367200       1.093000    
 H    1.221800       1.206400     -0.6705000    
 H   6.0000003E-04 -0.3234000       2.607800    
 H  -0.8874000      -1.646900       1.867700    
 H   0.8886000      -1.646900       1.867800    
 H   -4.396300      -1.382300      0.2763000    
 H    4.397600      -1.382200      0.2776000    
 H   -6.606500      -2.240100      0.2177000    
 H    6.608000      -2.239800      0.2214000    
 H   -5.868700       2.015200     -0.1892000    
 H    5.869900       2.014600     -0.1932000    
 H   -9.026600      -1.798000      5.7000001E-03
 H    9.028000      -1.797900      8.3999997E-03
 H   -8.238700       2.406800     -0.3922000    
 H    8.239800       2.406000     -0.3975000    
 H   -9.848400      0.5227000     -0.2992000    
 H    9.849600      0.5222000     -0.3011000    


%chk=000046336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046336

0 1
O -2.483927 -0.230981 -1.673171
O 2.485227 -0.230451 -1.669849
O 0.001831 -2.782916 -1.543944
O 0.002672 -1.736987 -3.564536
O -2.880739 1.553957 -0.170505
O 2.881938 1.555175 -0.167957
N 0.001823 -1.734424 -2.276272
N -4.320543 -0.324248 -0.366340
N 4.321332 -0.323479 -0.362291
C 0.000732 -0.319468 -1.582771
C -1.248051 0.426293 -2.118238
C 1.249924 0.427098 -2.116115
C -0.000318 -0.489200 -0.062847
C -3.220491 0.450063 -0.659709
C 3.221666 0.451019 -0.656588
C -5.353983 -0.050769 0.576793
C 5.354232 -0.049907 0.581389
C -6.388976 -1.014807 0.702536
C 6.388986 -1.014080 0.708076
C -5.377471 1.123784 1.372842
C 5.377389 1.124878 1.377098
C -7.440339 -0.806809 1.617891
C 7.439790 -0.805980 1.624049
C -6.438016 1.315428 2.284484
C 6.437374 1.316619 2.289370
C -7.472062 0.360633 2.415795
C 7.471181 0.361694 2.421628
H -1.267196 0.398511 -3.219236
H -1.234859 1.466779 -1.745132
H 1.236052 1.467224 -1.742026
H 1.270476 0.400399 -3.217122
H -0.001239 0.507312 0.410661
H -0.889547 -1.045674 0.270879
H 0.889070 -1.044667 0.272123
H -4.390171 -1.193417 -0.901311
H 4.391021 -1.192893 -0.896860
H -6.370005 -1.923400 0.087224
H 6.370261 -1.922850 0.093018
H -4.580634 1.863768 1.274338
H 4.580733 1.864962 1.277840
H -8.233348 -1.557254 1.706847
H 8.232619 -1.556526 1.713742
H -6.452438 2.223545 2.897347
H 6.451544 2.224913 2.901977
H -8.288965 0.521897 3.126778
H 8.287648 0.523036 3.133095


