%chk=000023578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023578

0 1
 O   -5.511300      0.3365000     -0.9630000    
 O   -4.726500       1.951700      0.2997000    
 N   7.6300003E-02  0.2734000       1.257700    
 N   0.3477000      -1.677200      0.2274000    
 N   -4.588800      0.8523000     -0.2879000    
 C   0.9178000     -0.7697000      0.9880000    
 C    2.291100     -0.8045000       1.524100    
 C   -1.116600      2.2200000E-02  0.6295000    
 C  -0.9218000      -1.200800     -6.6000000E-03
 C    3.191000     -0.1271000      0.5099000    
 C   -2.312700      0.7377000      0.5650000    
 C   -1.971800      -1.757800     -0.7561000    
 C   -3.347100      0.1685000     -0.1850000    
 C   -3.181600      -1.056900     -0.8346000    
 C    3.405000       1.236100      0.6041000    
 C    3.777000     -0.8883000     -0.4850000    
 C    4.233400       1.859500     -0.3290000    
 C    4.605400     -0.2648000      -1.418100    
 C    4.833500       1.109200      -1.339900    
 H    2.614700      -1.839200       1.689000    
 H    2.360800     -0.3018000       2.496400    
 H   0.2917000       1.086600       1.819300    
 H   -2.406300       1.686900       1.081600    
 H   -1.852700      -2.709300      -1.264300    
 H   -3.980800      -1.506500      -1.420100    
 H    2.943000       1.828700       1.388200    
 H    3.604400      -1.958400     -0.5543000    
 H    4.411200       2.929200     -0.2683000    
 H    5.072600     -0.8488000      -2.205600    
 H    5.478500       1.594600      -2.066500    


%chk=000023578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023578

0 1
O -5.683777 0.250236 -0.843959
O -4.366277 2.105902 -0.993833
N 0.298445 0.184041 0.444768
N 0.039303 -2.039810 0.891893
N -4.542580 0.848379 -0.740293
C 0.910117 -1.010683 0.843058
C 2.366214 -1.084621 1.223943
C -1.056980 -0.085936 0.216614
C -1.200098 -1.492259 0.509008
C 3.261134 -0.123331 0.445635
C -2.129568 0.715444 -0.198095
C -2.465490 -2.113279 0.384227
C -3.372932 0.053772 -0.308674
C -3.556436 -1.330921 -0.027214
C 3.935771 0.934931 1.104427
C 3.431201 -0.273883 -0.956325
C 4.766603 1.823623 0.381929
C 4.259616 0.611049 -1.679825
C 4.930289 1.663965 -1.012519
H 2.676374 -2.134617 1.076883
H 2.457593 -0.884694 2.309737
H 0.785670 1.068558 0.302569
H -2.056040 1.780963 -0.428592
H -2.578711 -3.177657 0.606581
H -4.556327 -1.756458 -0.139671
H 3.819554 1.058634 2.188464
H 2.917916 -1.091295 -1.477994
H 5.285351 2.633490 0.906622
H 4.386142 0.479297 -2.760120
H 5.575024 2.349162 -1.573644


