%chk=000017907.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017907

0 1
 O   0.7660000      0.8163000     -0.1881000    
 O   -1.340500      0.4957000      -1.806200    
 O  -0.7813000       2.107900      0.9190000    
 N    5.808900     -1.5200000E-02  0.3364000    
 C    3.140400       1.079900     -0.1882000    
 C    4.309600       1.951900      0.2820000    
 C    3.361300     -0.3683000      0.2614000    
 C    5.653200       1.361700     -0.1513000    
 C    4.736500     -0.8818000     -0.1706000    
 C    1.810400       1.618800      0.3312000    
 C    7.118200     -0.5471000     -4.1099999E-02
 C   -1.540000      0.1974000     -0.4093000    
 C  -0.5128000       1.165400      0.1835000    
 C   -2.985100      0.4986000     -4.6000001E-03
 C   -1.192700      -1.268800     -0.1417000    
 C   -3.234500      0.9192000       1.281300    
 C   -1.415300      -2.190700      -1.138500    
 C   -3.978800      0.3377000     -0.9426000    
 C  -0.6707000      -1.608800       1.085100    
 C   -1.603500       1.859500      -2.069500    
 C   -4.551400       1.194000       1.650100    
 C   -1.098600      -3.527100     -0.8949000    
 C   -5.295500      0.6126000     -0.5736000    
 C  -0.3540000      -2.945300       1.328600    
 C   -5.581900       1.040700      0.7228000    
 C  -0.5679000      -3.904400      0.3386000    
 H    3.111300       1.086200      -1.286700    
 H    4.290200       2.048200       1.375600    
 H    4.209000       2.964000     -0.1277000    
 H    3.272600     -0.4408000       1.353500    
 H    2.590800      -1.022900     -0.1630000    
 H    6.450700       1.993100      0.2592000    
 H    5.737000       1.401500      -1.245400    
 H    4.775400     -0.9534000      -1.265600    
 H    4.861100      -1.896700      0.2263000    
 H    1.672900       2.654300     -2.2000000E-03
 H    1.785900       1.593400       1.427500    
 H    7.255300      -1.555700      0.3645000    
 H    7.249600     -0.5915000      -1.128300    
 H    7.920100      7.0699997E-02  0.3785000    
 H   -2.471700      0.9889000       2.048400    
 H   -1.835800      -1.920700      -2.101800    
 H   -3.784700     -1.3300000E-02  -1.951000    
 H  -0.5074000     -0.8808000       1.873200    
 H   -2.324400       2.371300      -1.425800    
 H  -0.6637000       2.423500      -2.063000    
 H   -1.985000       1.924100      -3.094200    
 H   -4.776700       1.512800       2.663700    
 H   -1.267300      -4.274500      -1.664700    
 H   -6.098800      0.4881000      -1.293800    
 H   5.7000000E-02  -3.239600       2.289900    
 H   -6.607700       1.250200       1.011300    
 H  -0.3223000      -4.945100      0.5286000    


%chk=000017907-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017907

0 1
O 0.756468 0.889499 -0.358541
O -1.933192 0.800602 -2.102394
O -0.664031 2.694043 -0.040516
N 5.717685 -0.142757 0.799336
C 3.185328 0.919872 -0.270961
C 4.459820 1.791760 -0.146292
C 3.224473 -0.210305 0.784963
C 5.727064 0.918171 -0.235076
C 4.528953 -1.020742 0.668041
C 1.933179 1.788945 -0.143469
C 6.977796 -0.909166 0.818502
C -1.624469 0.475867 -0.673953
C -0.493545 1.473124 -0.287459
C -2.886778 0.607503 0.196751
C -1.119587 -0.979296 -0.685246
C -2.972318 1.401056 1.365319
C -0.709381 -1.600365 -1.887771
C -4.021284 -0.147017 -0.205858
C -1.028820 -1.697855 0.532188
C -2.608803 2.087352 -2.350725
C -4.168846 1.432519 2.120773
C -0.218217 -2.925304 -1.871994
C -5.216042 -0.106596 0.540075
C -0.528492 -3.017665 0.548953
C -5.293581 0.683395 1.712610
C -0.120519 -3.638169 -0.655105
H 3.175201 0.453649 -1.278834
H 4.457814 2.316076 0.829706
H 4.488577 2.560268 -0.944131
H 3.170421 0.234346 1.799018
H 2.353236 -0.878274 0.657645
H 6.627224 1.543484 -0.084060
H 5.796706 0.479590 -1.268073
H 4.535611 -1.567098 -0.313960
H 4.571685 -1.784682 1.466904
H 1.896100 2.593708 -0.901410
H 1.842582 2.247303 0.859776
H 6.956415 -1.639874 1.647050
H 7.170362 -1.471145 -0.131756
H 7.829042 -0.225192 0.988087
H -2.122091 2.010812 1.682132
H -0.784566 -1.042085 -2.823848
H -3.953062 -0.763692 -1.109249
H -1.358195 -1.230215 1.467277
H -3.585157 2.133909 -1.833869
H -1.985889 2.942556 -2.031419
H -2.759161 2.110512 -3.441721
H -4.220462 2.050279 3.024444
H 0.091433 -3.399724 -2.810421
H -6.082300 -0.693145 0.213991
H -0.464247 -3.562723 1.497606
H -6.219223 0.713059 2.298470
H 0.262483 -4.665073 -0.644705


