%chk=000025809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025809

0 1
 O    3.032400     -0.6959000      0.5526000    
 O   -3.344800     -0.2008000      0.4082000    
 O  -3.0400001E-02   3.244200     -0.8097000    
 O    4.434200     -0.7198000      -1.283600    
 O   -3.764700      -1.852600      -1.151200    
 N   6.9999998E-04   1.343000      0.1180000    
 N   0.3733000       2.608500      0.1714000    
 C   0.9487000      0.4570000      0.7771000    
 C   -1.354800       1.105200      0.6441000    
 C    2.126400      0.1561000     -0.1361000    
 C   -2.050800      6.3000000E-03 -0.1429000    
 C    4.152700      -1.059600     -0.1423000    
 C   -4.101700      -1.166400     -0.1959000    
 C    5.010200      -1.951600      0.7033000    
 C   -5.431400      -1.273800      0.4872000    
 H   0.4924000     -0.5116000       1.024700    
 H    1.296600      0.8537000       1.742200    
 H   -1.982400       2.004700      0.5511000    
 H   -1.351500      0.8820000       1.720400    
 H    2.651200       1.078500     -0.4132000    
 H    1.779700     -0.3444000      -1.048800    
 H   -1.486800     -0.9319000     -8.7800004E-02
 H   -2.147400      0.2998000      -1.195500    
 H    4.457400      -2.857400      0.9647000    
 H    5.324000      -1.418200       1.604100    
 H    5.902400      -2.238300      0.1393000    
 H   -5.963600     -0.3222000      0.4132000    
 H   -5.288600      -1.555200       1.533500    
 H   -6.029900      -2.046900     -3.3000000E-03


%chk=000025809-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025809

0 1
O 3.090758 -0.505354 0.541224
O -3.084468 -0.351413 0.325793
O -1.119872 3.432028 0.038025
O 2.866506 -2.400556 -0.795351
O -3.550905 -1.017355 -1.857190
N 0.050345 1.651985 0.753844
N 0.052688 2.952967 0.255340
C 1.378725 1.092361 1.048534
C -1.210458 0.944708 1.068753
C 1.724239 -0.092151 0.131471
C -1.865085 0.332826 -0.182296
C 3.561535 -1.706205 -0.023442
C -3.869698 -0.992725 -0.649157
C 4.981336 -1.980513 0.415456
C -5.111033 -1.593867 -0.029667
H 1.429623 0.766521 2.104421
H 2.107061 1.906875 0.899775
H -1.910921 1.676767 1.510805
H -0.993303 0.156757 1.809711
H 1.733774 0.203129 -0.933232
H 1.035392 -0.947671 0.254989
H -1.216923 -0.407635 -0.684667
H -2.154264 1.109205 -0.910320
H 5.183193 -1.544960 1.405732
H 5.680729 -1.523652 -0.308710
H 5.162089 -3.066109 0.424733
H -5.968512 -0.920265 -0.210955
H -4.993550 -1.726257 1.055831
H -5.335500 -2.557042 -0.514649


