%chk=000015378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015378

0 1
 O    2.444600      -1.138800      0.1341000    
 O    3.071400       1.669900     -1.7500000E-02
 O   -4.597500      0.2558000      0.2060000    
 O   -7.140800     -0.7510000     -0.3830000    
 N  -0.9380000      0.2917000     -0.1843000    
 C    1.478800     -0.1441000     -0.2334000    
 C   0.1072000     -0.6532000      0.1852000    
 C    1.813300       1.174500      0.4513000    
 C   -2.248200     -0.1936000      0.2272000    
 C    3.728200     -0.6680000      4.7600001E-02
 C    4.031400      0.6926000     -3.6899999E-02
 C   -3.338400      0.7763000     -0.1999000    
 C    4.754100      -1.613400      5.6800000E-02
 C    5.358300       1.106700     -0.1565000    
 C    6.081600      -1.197800     -4.9100000E-02
 C    6.382900      0.1600000     -0.1610000    
 C   -5.662900       1.119600     -0.1654000    
 C   -6.976800      0.5011000      0.2717000    
 C   -8.349300      -1.388100      7.1999999E-03
 H    1.517400     -3.0800000E-02  -1.326200    
 H  -6.9499999E-02  -1.628400     -0.2869000    
 H   0.1011000     -0.8309000       1.268600    
 H    1.870000       1.065400       1.542200    
 H    1.071200       1.947300      0.2287000    
 H  -0.9252000      0.4413000      -1.192900    
 H   -2.289200     -0.3195000       1.316400    
 H   -2.455900      -1.178600     -0.2102000    
 H   -3.179200       1.755600      0.2677000    
 H   -3.330500      0.9006000      -1.289700    
 H    4.527800      -2.673300      0.1349000    
 H    5.602300       2.162600     -0.2354000    
 H    6.881700      -1.932400     -4.8700001E-02
 H    7.417100      0.4806000     -0.2474000    
 H   -5.533700       2.097200      0.3120000    
 H   -5.657900       1.243800      -1.254600    
 H   -6.965700      0.3364000       1.355400    
 H   -7.807700       1.166800      1.4000000E-02
 H   -8.346100      -1.591700       1.082400    
 H   -9.212200     -0.7693000     -0.2572000    
 H   -8.425200      -2.338900     -0.5272000    


%chk=000015378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015378

0 1
O 2.538850 -1.158559 0.153232
O 3.094035 1.704759 -0.099667
O -4.625627 0.270638 0.320583
O -7.431902 -0.481567 -0.603932
N -0.964886 0.027083 -0.307039
C 1.493502 -0.174694 -0.229812
C 0.157448 -0.772331 0.229939
C 1.808557 1.181242 0.412483
C -2.287318 -0.293599 0.278751
C 3.857340 -0.652124 0.058132
C 4.127049 0.738666 -0.080614
C -3.339743 0.697076 -0.232320
C 4.922083 -1.575190 0.099258
C 5.457160 1.188353 -0.206746
C 6.253773 -1.120707 -0.014573
C 6.520854 0.260793 -0.178232
C -5.727582 1.152085 -0.077467
C -7.033961 0.523705 0.384302
C -8.597092 -1.247158 -0.171788
H 1.516062 -0.063802 -1.335285
H 0.138021 -1.846885 -0.068047
H 0.109288 -0.745425 1.335174
H 1.870320 1.073604 1.514031
H 1.043926 1.925144 0.146183
H -0.995179 -0.021966 -1.336229
H -2.214204 -0.204058 1.378185
H -2.637839 -1.328399 0.056159
H -3.083932 1.729183 0.092667
H -3.381091 0.685785 -1.346856
H 4.686549 -2.638333 0.211509
H 5.635051 2.262892 -0.316011
H 7.076691 -1.842240 0.017535
H 7.551977 0.616036 -0.275417
H -5.595541 2.153439 0.390907
H -5.753856 1.278159 -1.181471
H -6.884405 0.060644 1.384125
H -7.823650 1.304779 0.469801
H -8.395372 -1.798829 0.771429
H -9.486021 -0.596021 -0.019917
H -8.808834 -1.968180 -0.976963


