%chk=000096246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096246

0 1
 O   -3.335600       1.384700      0.5773000    
 O    3.335100      -1.384600      0.5779000    
 N   -3.594900     -0.6740000     -0.4576000    
 N    3.595200      0.6736000     -0.4579000    
 C   -1.384300      0.1718000      0.1086000    
 C    1.384200     -0.1714000      0.1078000    
 C  -0.5436000       1.284800      0.1084000    
 C   0.8407000       1.113100      0.1079000    
 C  -0.8408000      -1.112900      0.1085000    
 C   0.5435000      -1.284400      0.1081000    
 C   -2.827200      0.3506000      0.1087000    
 C    2.827300     -0.3505000      0.1086000    
 C   -5.036400     -0.6332000     -0.5533000    
 C    5.036700      0.6324000     -0.5529000    
 H  -0.9474000       2.294000      0.1108000    
 H    1.458200       2.006100      0.1378000    
 H   -1.458200      -2.005800      0.1387000    
 H   0.9474000      -2.293600      0.1104000    
 H   -3.139100      -1.459900     -0.9087000    
 H    3.139600       1.459400     -0.9094000    
 H   -5.304000     -0.1757000      -1.509000    
 H   -5.458400     -4.5600001E-02  0.2657000    
 H   -5.415800      -1.656900     -0.5152000    
 H    5.416300       1.656000     -0.5155000    
 H    5.304700      0.1742000      -1.508100    
 H    5.458200      4.5299999E-02  0.2667000    


%chk=000096246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096246

0 1
O -3.414429 1.474478 0.329227
O 3.414533 -1.474481 0.330041
N -3.700867 -0.717806 -0.400833
N 3.700973 0.717541 -0.400820
C -1.419886 0.127462 -0.009165
C 1.419990 -0.127636 -0.009036
C -0.592541 1.278172 0.010086
C 0.809736 1.154720 0.007056
C -0.809630 -1.154889 0.007351
C 0.592645 -1.278341 0.010507
C -2.913821 0.353492 -0.005610
C 2.913924 -0.353652 -0.005321
C -5.165560 -0.638720 -0.426549
C 5.165671 0.638500 -0.426354
H -1.080026 2.257662 0.043891
H 1.415081 2.067791 0.057531
H -1.414971 -2.067950 0.058066
H 1.080128 -2.257822 0.044642
H -3.251900 -1.567569 -0.742004
H 3.252009 1.567167 -0.742338
H -5.557088 -0.747949 -1.455119
H -5.448654 0.354247 -0.042968
H -5.618643 -1.417145 0.214683
H 5.618656 1.417247 0.214554
H 5.557301 0.747256 -1.454937
H 5.448767 -0.354276 -0.042282


