%chk=000002779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002779

0 1
 O  -0.8364000       2.040400     -0.3581000    
 O    1.521400      0.8412000       1.734800    
 O   0.9129000       1.731400      -1.849400    
 O   -2.743100      -1.882800     -0.8572000    
 N  -0.5872000      -1.005100     -0.6147000    
 C   4.2900000E-02  0.1618000     -2.3700001E-02
 C   -1.052400      0.9881000      0.6298000    
 C   -2.341100      0.1973000      0.3690000    
 C    1.247900     -0.2250000      0.8264000    
 C   0.2082000       1.380100     -0.9305000    
 C   -1.966300      -1.034100     -0.4478000    
 C    2.517100     -0.5145000      1.6000000E-03
 C   -2.969900     -0.2336000       1.686600    
 C    3.721400     -0.8369000      0.8872000    
 C    2.324600      -1.608100      -1.053800    
 H  -0.9011000       1.367800       1.644200    
 H   -3.055100      0.7950000     -0.2087000    
 H    1.003500      -1.096400       1.446400    
 H  -0.1347000      -1.746500      -1.133300    
 H    2.797300      0.4013000     -0.5357000    
 H   -3.231400      0.6377000       2.296100    
 H   -3.880900     -0.8163000       1.514300    
 H   -2.283100     -0.8568000       2.270900    
 H    4.619900      -1.001600      0.2826000    
 H    3.940600     -1.7400000E-02   1.579100    
 H    3.541600      -1.741400       1.478000    
 H    1.884100      -2.511400     -0.6200000    
 H    3.288700      -1.893600      -1.490500    
 H    1.711200      -1.258000      -1.888500    
 H    1.836700       1.604300       1.221200    


%chk=000002779-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002779

0 1
O -0.908735 2.059397 -0.445588
O 1.565658 0.964746 1.702509
O 0.874984 1.683686 -1.995968
O -2.787057 -1.981687 -0.770792
N -0.635208 -1.038026 -0.589251
C 0.059068 0.129784 -0.053274
C -1.099125 0.954381 0.613022
C -2.409544 0.184419 0.442837
C 1.328792 -0.170835 0.787653
C 0.173034 1.340672 -1.043865
C -2.018944 -1.070499 -0.376095
C 2.620146 -0.489063 -0.019885
C -3.101215 -0.206832 1.768707
C 3.733345 -0.947517 0.953081
C 2.420064 -1.529471 -1.148469
H -0.884110 1.374409 1.602456
H -3.109159 0.783030 -0.170499
H 1.088434 -1.016231 1.460181
H -0.170638 -1.759017 -1.141838
H 2.937129 0.459633 -0.506423
H -3.464756 0.691331 2.297988
H -3.960108 -0.866324 1.558927
H -2.410540 -0.749693 2.439392
H 4.705290 -1.007324 0.430958
H 3.836818 -0.252295 1.804134
H 3.506424 -1.951417 1.360262
H 1.997615 -2.476583 -0.758641
H 3.398030 -1.774166 -1.599305
H 1.782507 -1.141472 -1.963809
H 2.069101 1.669864 1.217896


