%chk=000004086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004086

0 1
 O  -0.8128000      0.5571000      -2.016000    
 O    2.732400      -2.701800     -0.1020000    
 O    3.984500       1.812900      0.8126000    
 N   -2.973600      0.6119000     -0.1143000    
 C  -0.5812000      0.8497000     -0.6387000    
 C   -1.635800      0.1605000      0.2359000    
 C   -3.977500     -4.8099998E-02  0.7190000    
 C   0.8167000      0.3906000     -0.2863000    
 C   -3.906400      -1.561300      0.5345000    
 C   -5.362300      0.4828000      0.3623000    
 C    1.757900       1.327900      0.1025000    
 C    1.124200     -0.9570000     -0.3601000    
 C    2.413000      -1.380400     -3.5399999E-02
 C    3.046700      0.9047000      0.4274000    
 C    3.374300     -0.4495000      0.3585000    
 H  -0.6596000       1.938000     -0.5224000    
 H   -1.424100      0.3570000       1.294500    
 H   -1.555800     -0.9155000      6.3600004E-02
 H   -3.797200      0.1889000       1.775500    
 H   -3.038100       1.622700      3.5999999E-03
 H   -4.790100      -2.038900      0.9744000    
 H   -3.881300      -1.843100     -0.5244000    
 H   -3.042100      -2.005100       1.038800    
 H   -5.419500       1.566800      0.5116000    
 H   -6.129300      2.2100000E-02  0.9943000    
 H   -5.616300      0.2710000     -0.6826000    
 H    1.509000       2.384000      0.1584000    
 H   0.3873000      -1.686700     -0.6830000    
 H   -1.727000      0.8196000      -2.218600    
 H    4.376800     -0.7863000      0.6107000    
 H    1.949400      -3.201900     -0.3899000    
 H    4.817300       1.346300      0.9992000    


%chk=000004086-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004086

0 1
O -1.166197 -0.199466 -1.792187
O 3.089429 -2.677647 -0.659169
O 3.703509 1.675174 1.417022
N -2.957820 0.730360 -0.065099
C -0.599176 0.709766 -0.804053
C -1.559371 0.705131 0.434787
C -3.993832 0.026561 0.753868
C 0.809195 0.282209 -0.419736
C -3.858425 -1.503289 0.598665
C -5.386323 0.507484 0.298243
C 1.638128 1.171213 0.301704
C 1.268528 -1.012035 -0.754641
C 2.563463 -1.408444 -0.352825
C 2.926534 0.747047 0.697758
C 3.405080 -0.542969 0.379102
H -0.563883 1.743891 -1.217692
H -1.312587 1.542813 1.120123
H -1.405231 -0.237621 0.987347
H -3.871255 0.282144 1.833281
H -3.260247 1.686893 -0.297966
H -4.589734 -2.019704 1.246979
H -4.044798 -1.797961 -0.450076
H -2.850738 -1.858964 0.877539
H -5.512467 1.595409 0.459935
H -6.180332 -0.011331 0.863007
H -5.530855 0.295761 -0.777305
H 1.315787 2.186702 0.553168
H 0.610690 -1.662025 -1.342011
H -2.159135 -0.127722 -1.601617
H 4.404394 -0.885645 0.670490
H 2.437789 -3.198255 -1.191166
H 4.589379 1.293423 1.636125


