%chk=000023773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023773

0 1
 O    5.386100       1.157900     -0.1853000    
 N    4.793200     -0.1077000     -0.1543000    
 N  -0.7903000      0.1638000      0.6122000    
 N   -1.373400      0.2051000     -0.4966000    
 N   -5.523600      0.4076000      6.9899999E-02
 C    3.354200     -3.7999999E-02  4.2800002E-02
 C    5.502500     -0.8606000      0.9660000    
 C    5.172800     -0.7658000      -1.476400    
 C    2.724400       1.202000      0.1512000    
 C    2.603500      -1.210900      0.1244000    
 C    1.344200       1.269100      0.3411000    
 C    1.223200      -1.143700      0.3143000    
 C   0.5936000      9.6299998E-02  0.4227000    
 C   -2.764200      0.2726000     -0.3057000    
 C   -3.508500     -0.8950000     -0.2264000    
 C   -4.876100     -0.7742000     -3.9200000E-02
 C   -3.387300       1.507000     -0.1988000    
 C   -5.713900      -2.005900      5.0999999E-02
 C   -4.760300       1.520400     -1.2900000E-02
 H    5.226800     -0.3775000       1.907800    
 H    5.187700      -1.906400      0.9438000    
 H    6.579300     -0.7760000      0.7915000    
 H    6.259200     -0.6932000      -1.583000    
 H    4.853100      -1.810100      -1.453800    
 H    4.669800     -0.2091000      -2.272400    
 H    3.269500       2.139300      9.2399999E-02
 H    3.067400      -2.189500      4.1400000E-02
 H   0.8621000       2.239800      0.4248000    
 H   0.6467000      -2.063100      0.3767000    
 H   -3.035700      -1.868300     -0.3093000    
 H   -2.828700       2.434800     -0.2583000    
 H   -5.632900      -2.589900     -0.8713000    
 H   -5.392600      -2.623800      0.8955000    
 H   -6.769200      -1.754000      0.1994000    
 H   -5.299500       2.457600      7.7000000E-02


%chk=000023773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023773

0 1
O 5.380925 1.289303 -0.141828
N 4.948669 -0.069325 -0.117275
N -0.804674 -0.394178 -0.000434
N -1.475317 0.727774 0.000111
N -5.739479 0.467234 0.078340
C 3.420023 -0.181526 -0.085899
C 5.523585 -0.731903 1.136155
C 5.473492 -0.762002 -1.376348
C 2.710832 1.035328 -0.089890
C 2.763420 -1.430824 -0.054371
C 1.305521 1.011473 -0.062096
C 1.354659 -1.452113 -0.026507
C 0.619871 -0.236277 -0.030209
C -2.903061 0.559872 0.027665
C -3.585108 -0.684286 0.043967
C -5.000403 -0.694479 0.068994
C -3.660804 1.757915 0.036855
C -5.778471 -1.994366 0.086691
C -5.067069 1.656484 0.062625
H 5.120062 -0.179622 1.996206
H 5.264370 -1.803572 1.199339
H 6.612549 -0.588640 1.084953
H 6.563416 -0.616816 -1.372899
H 5.213441 -1.835019 -1.402462
H 5.034576 -0.231439 -2.232726
H 3.319073 1.946216 -0.114505
H 3.318989 -2.374543 -0.051505
H 0.719042 1.934895 -0.064441
H 0.799315 -2.395011 -0.001548
H -3.011198 -1.615232 0.036560
H -3.150456 2.725055 0.024063
H -5.549793 -2.610144 -0.802915
H -5.527082 -2.599555 0.977517
H -6.857245 -1.776179 0.099473
H -5.692568 2.556100 0.070540


