%chk=000005808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005808

0 1
 O  -0.9139000      -2.205100     -0.1756000    
 O    3.776300      0.3607000       1.812700    
 O    4.511500      0.8004000     -0.8318000    
 N   -3.114600     -0.3886000      0.2022000    
 C  -0.7199000     -0.9165000      0.4059000    
 C   -1.771700      6.7599997E-02 -0.1206000    
 C   -4.115600      0.5522000     -0.2986000    
 C   0.6834000     -0.4559000      7.7699997E-02
 C   -3.903300       1.930400      0.3215000    
 C   -5.511600      2.1100000E-02  1.1100000E-02
 C    1.588100     -0.2587000       1.106600    
 C    1.032200     -0.2418000      -1.244500    
 C    2.882000      0.1654000      0.8038000    
 C    2.326100      0.1826000      -1.547200    
 C    3.251000      0.3862000     -0.5231000    
 H  -0.8417000      -1.031600       1.490300    
 H   -1.692700      0.1697000      -1.209400    
 H   -1.548100       1.039000      0.3322000    
 H   -4.032400      0.6381000      -1.389700    
 H   -3.271800      -1.310600     -0.2039000    
 H   -4.769000       2.573300      0.1226000    
 H   -3.785900       1.874500       1.409800    
 H   -3.037600       2.450700     -0.1000000    
 H   -5.671100     -0.9605000     -0.4491000    
 H   -6.279600      0.6973000     -0.3798000    
 H   -5.671700     -8.1000000E-02   1.090400    
 H    1.299000     -0.4312000       2.139800    
 H   0.3323000     -0.4097000      -2.057300    
 H  -0.1591000      -2.766000      7.2700001E-02
 H    2.608400      0.3494000      -2.583300    
 H    3.345900      0.1595000       2.661400    
 H    5.015300      0.8896000     -4.1000000E-03


%chk=000005808-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005808

0 1
O -1.130494 -2.114871 -0.509776
O 3.827272 0.658085 1.790725
O 4.719975 0.647664 -0.756224
N -3.096264 -0.243790 0.226131
C -0.727410 -0.918588 0.270936
C -1.730694 0.172232 -0.142315
C -4.191804 0.652288 -0.226281
C 0.718099 -0.527743 0.000441
C -4.152342 1.996745 0.533769
C -5.537133 -0.066883 0.000331
C 1.563248 -0.142725 1.072859
C 1.232542 -0.519960 -1.321108
C 2.887145 0.252371 0.813010
C 2.565429 -0.130123 -1.577149
C 3.399069 0.261017 -0.511859
H -0.871339 -1.121921 1.354150
H -1.604677 0.364663 -1.237950
H -1.463265 1.105595 0.387045
H -4.097143 0.877286 -1.321269
H -3.250565 -1.210890 -0.095833
H -4.996510 2.639673 0.223206
H -4.224440 1.813903 1.621452
H -3.218602 2.554832 0.338157
H -5.581312 -1.019800 -0.561446
H -6.380083 0.564063 -0.333880
H -5.668339 -0.293191 1.074254
H 1.179631 -0.151471 2.102490
H 0.584296 -0.831305 -2.146421
H -0.478683 -2.840772 -0.340022
H 2.975258 -0.121631 -2.591468
H 3.441659 0.658226 2.698857
H 5.147676 0.887520 0.107889


