%chk=000002369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002369

0 1
 O   -3.750600      0.1789000      5.1300000E-02
 O    2.329200       1.651700      0.3725000    
 O    4.984500       1.134800       1.015800    
 N    2.938600      -1.810500      9.3800001E-02
 C   -4.249800      -1.943900      0.9992000    
 C   -3.781900      -3.351500      0.7947000    
 C   -2.870800      -2.340500       1.426900    
 C   -4.411600      -1.056200     -0.1867000    
 C   -3.878400       1.060700      -1.056800    
 C   -3.151800       2.374500     -0.7531000    
 C   -1.703200       2.183200     -0.4557000    
 C    3.984300      0.1329000       1.220900    
 C    3.959700     -0.7769000     -9.7000003E-03
 C    2.898700      -2.625800      -1.112700    
 C    2.649700      0.8255000       1.487600    
 C  -0.7679000       2.222400      -1.489900    
 C   -1.283500       1.965400      0.8564000    
 C   0.9991000       1.826900      9.8899998E-02
 C    1.855000      -3.725800     -0.9478000    
 C    2.591600      -1.756500      -2.328800    
 C   0.5873000       2.043600      -1.211800    
 C   7.1599998E-02   1.786800       1.134600    
 H   -4.973700      -1.742300       1.778400    
 H   -4.202200      -4.119400       1.432900    
 H   -3.541100      -3.688100     -0.2060000    
 H   -2.023100      -1.996900      0.8466000    
 H   -2.677900      -2.430300       2.488900    
 H   -5.478900     -0.8770000     -0.3606000    
 H   -3.992100      -1.520700      -1.087300    
 H   -3.448400      0.5914000      -1.949900    
 H   -4.938500       1.267600      -1.244000    
 H   -3.276200       3.065200      -1.596200    
 H   -3.630500       2.859900      0.1077000    
 H    4.270600     -0.4431000       2.108900    
 H    4.951300      -1.231700     -0.1340000    
 H    3.813900     -0.1260000     -0.8778000    
 H    3.869400      -3.115100      -1.264300    
 H    3.124200      -2.396700      0.9070000    
 H    1.887700      6.1799999E-02   1.685100    
 H    2.747500       1.473500       2.366800    
 H   -1.082600       2.389000      -2.516700    
 H   -2.000800       1.939400       1.672600    
 H   0.8518000      -3.308700     -0.8026000    
 H    1.825800      -4.369300      -1.833800    
 H    2.084900      -4.362000     -8.5699998E-02
 H    3.450000      -1.154800      -2.643100    
 H    1.739800      -1.090300      -2.149900    
 H    2.333500      -2.385400      -3.189100    
 H    1.312600       2.072800      -2.020000    
 H   0.3588000       1.652100       2.173000    
 H    5.834700      0.6789000      0.8934000    


%chk=000002369-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002369

0 1
O -4.413679 0.511931 0.097220
O 2.314261 1.042940 0.102145
O 4.824107 1.431252 1.559491
N 4.279845 -1.915400 -0.121212
C -5.494170 -1.241169 1.364595
C -5.753732 -2.745498 1.555407
C -4.446227 -2.116704 2.063761
C -5.224187 -0.709952 -0.023877
C -4.140819 1.131710 -1.207963
C -3.211318 2.338029 -0.982071
C -1.766051 1.977399 -0.662991
C 4.212399 0.116414 1.310587
C 4.729958 -0.516928 -0.003385
C 4.104862 -2.457408 -1.498028
C 2.698386 0.311573 1.317152
C -0.712082 2.380395 -1.526144
C -1.425161 1.238695 0.498204
C 0.950801 1.317990 -0.084871
C 4.077180 -3.997673 -1.421790
C 2.805613 -1.913001 -2.131999
C 0.631026 2.059504 -1.248130
C -0.083674 0.906678 0.793224
H -6.064118 -0.555347 2.000506
H -6.505666 -3.050232 2.288604
H -5.700963 -3.392070 0.673204
H -3.523942 -2.333055 1.515689
H -4.311503 -1.998831 3.142520
H -6.179101 -0.471021 -0.546523
H -4.680010 -1.467392 -0.633670
H -3.666388 0.391705 -1.890308
H -5.100233 1.466329 -1.664712
H -3.240428 2.967444 -1.892479
H -3.655122 2.938867 -0.163687
H 4.452080 -0.572259 2.154525
H 5.845847 -0.413479 -0.031297
H 4.329092 0.070066 -0.845617
H 4.962954 -2.160150 -2.152016
H 4.832807 -2.551804 0.467365
H 2.215957 -0.685660 1.324899
H 2.403971 0.889403 2.215285
H -0.945062 2.959200 -2.428919
H -2.226627 0.910884 1.168217
H 3.262222 -4.328758 -0.751459
H 3.902501 -4.433431 -2.421114
H 5.033095 -4.403083 -1.036482
H 2.769835 -0.809665 -2.106879
H 1.929000 -2.286177 -1.572100
H 2.721999 -2.237553 -3.186107
H 1.443400 2.378458 -1.908853
H 0.139598 0.335800 1.699451
H 5.787767 1.384533 1.332533


