%chk=000003279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003279

0 1
 O    5.442800      0.6296000     -0.1501000    
 O   -5.441500      0.6286000      0.1585000    
 N    1.780500      0.5226000     -0.5436000    
 N   -1.784400      0.5225000      0.5384000    
 C    3.050200      0.5160000      0.1832000    
 C   -3.049800      0.5165000     -0.1814000    
 C   0.6581000      0.5290000      0.3813000    
 C  -0.6586000      0.5341000     -0.3894000    
 C    3.164500     -0.7227000       1.091600    
 C   -3.166000     -0.7210000      -1.091400    
 C    4.196300      0.5669000     -0.8326000    
 C   -4.193200      0.5653000      0.8375000    
 C    3.104000      -2.044000      0.3348000    
 C   -3.102900      -2.043400     -0.3367000    
 H    3.120300       1.407200      0.8213000    
 H   -3.124200       1.407800     -0.8189000    
 H   0.7074000       1.408300       1.036000    
 H   0.6408000     -0.3654000       1.011100    
 H  -0.6444000     -0.3549000      -1.026900    
 H  -0.7077000       1.419500      -1.035600    
 H    1.733900       1.342700      -1.147800    
 H   -1.734800       1.339000       1.147200    
 H    4.126100     -0.6853000       1.620500    
 H    2.419800     -0.7161000       1.893900    
 H   -2.424400     -0.7132000      -1.896500    
 H   -4.129300     -0.6833000      -1.617000    
 H    4.119700       1.462300      -1.460400    
 H    4.210700     -0.2967000      -1.504200    
 H   -4.115700       1.459700       1.466500    
 H   -4.205700     -0.2993000       1.507800    
 H    2.179600      -2.146500     -0.2410000    
 H    3.139000      -2.874900       1.047800    
 H    3.954400      -2.168800     -0.3412000    
 H   -2.176400      -2.146800      0.2355000    
 H   -3.140500      -2.873300      -1.050700    
 H   -3.950800      -2.169300      0.3422000    
 H    5.432400       1.425600      0.4083000    
 H   -5.433000       1.425700     -0.3984000    


%chk=000003279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003279

0 1
O 5.569520 0.911953 -0.220382
O -5.569293 0.910926 0.222064
N 1.836281 0.455584 -0.428549
N -1.836093 0.453796 0.429998
C 3.145421 0.501805 0.261719
C -3.145137 0.501691 -0.260448
C 0.638244 0.428098 0.431593
C -0.637987 0.428438 -0.430126
C 3.392675 -0.753327 1.140899
C -3.392285 -0.751442 -1.142488
C 4.245219 0.680995 -0.811983
C -4.245105 0.678562 0.813411
C 3.213066 -2.098604 0.406088
C -3.214783 -2.098354 -0.410153
H 3.210633 1.391883 0.950733
H -3.210034 1.393340 -0.947451
H 0.601764 1.293816 1.147113
H 0.646165 -0.490200 1.044741
H -0.645274 -0.488820 -1.044837
H -0.602008 1.295394 -1.144182
H 1.762148 1.194984 -1.142504
H -1.762039 1.191638 1.145585
H 4.424299 -0.673304 1.535647
H 2.718271 -0.718811 2.019332
H -2.716717 -0.715675 -2.019971
H -4.423338 -0.669831 -1.538393
H 3.969839 1.517790 -1.494050
H 4.357002 -0.233583 -1.413758
H -3.969803 1.513824 1.497382
H -4.357043 -0.237346 1.413138
H 2.218666 -2.158206 -0.069472
H 3.318333 -2.942829 1.111769
H 3.970241 -2.233956 -0.386980
H -2.221164 -2.159635 0.066826
H -3.319563 -2.941056 -1.117727
H -3.973297 -2.234763 0.381456
H 5.528728 1.729490 0.338341
H -5.528351 1.729733 -0.334781


