%chk=000006049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006049

0 1
 O    4.300600      -2.569300      -1.013500    
 O    2.789200       2.294500       2.526900    
 O   -4.259100      -2.611500      0.9969000    
 O   -2.831400       2.298000      -2.511300    
 O    3.672800     -0.5503000      -1.845500    
 O    2.354600       2.446700      0.3020000    
 O   -3.658400     -0.5906000       1.844100    
 O   -2.392500       2.442700     -0.2867000    
 N    1.858800     -0.2550000      0.1985000    
 N   -1.852700     -0.2518000     -0.2013000    
 C   0.4559000     -0.2596000      0.6117000    
 C  -0.4534000     -0.2292000     -0.6132000    
 C    2.284800      -1.602000     -0.1790000    
 C    2.705600      0.2674000       1.270200    
 C   -2.259100      -1.609000      0.1663000    
 C   -2.711700      0.2645000      -1.268200    
 C    3.477600      -1.492400      -1.088100    
 C    2.581800       1.765800       1.294100    
 C   -3.451400      -1.523700       1.078600    
 C   -2.612000       1.764800      -1.282500    
 H   0.2592000      -1.112000       1.272600    
 H   0.2218000      0.6363000       1.203200    
 H  -0.2231000      0.6954000      -1.160000    
 H  -0.2479000      -1.050100      -1.311200    
 H    1.526000      -2.145700     -0.7517000    
 H    2.533000      -2.206000      0.7024000    
 H    3.768000      5.8800001E-02   1.096500    
 H    2.430800     -0.1544000       2.244600    
 H   -1.495100      -2.152400      0.7313000    
 H   -2.502400      -2.206900     -0.7206000    
 H   -3.770100      3.7500001E-02  -1.093000    
 H   -2.432100     -0.1463000      -2.245800    
 H    5.063300      -2.489900      -1.625300    
 H    2.722600       3.273200       2.521200    
 H   -5.021500      -2.547800       1.610900    
 H   -2.780300       3.277600      -2.499400    


%chk=000006049-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006049

0 1
O 4.138969 -3.230828 -0.361682
O 2.979494 3.073610 0.858182
O -4.110517 -3.272950 0.324423
O -3.003201 3.056006 -0.827644
O 4.434415 -0.979859 -0.856349
O 1.563039 2.196558 -0.759174
O -4.427484 -1.030750 0.844738
O -1.580372 2.176105 0.782518
N 1.860079 -0.428666 0.450199
N -1.855798 -0.440750 -0.450516
C 0.394149 -0.422952 0.668514
C -0.389883 -0.419580 -0.668604
C 2.508639 -1.730684 0.550051
C 2.602862 0.715511 0.970375
C -2.492245 -1.747509 -0.566486
C -2.608489 0.701952 -0.959905
C 3.767968 -1.877084 -0.302647
C 2.292250 2.017467 0.235465
C -3.751742 -1.915298 0.281975
C -2.307993 1.999866 -0.213799
H 0.078294 -1.292524 1.286346
H 0.093057 0.481261 1.225519
H -0.096854 0.492896 -1.216367
H -0.066219 -1.279926 -1.295238
H 1.804668 -2.513534 0.217666
H 2.804822 -2.020222 1.592484
H 3.686775 0.547674 0.838336
H 2.433698 0.910754 2.056897
H -1.781686 -2.527573 -0.241662
H -2.783762 -2.027796 -1.612772
H -3.690817 0.523875 -0.828195
H -2.441994 0.908104 -2.044827
H 4.982219 -3.319344 -0.883598
H 2.785338 3.919511 0.371489
H -4.953869 -3.375189 0.843659
H -2.815608 3.899169 -0.333670


