%chk=000108259.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108259

0 1
 O    5.312300     -0.8302000     -0.5073000    
 N   -1.846200      0.3232000     -0.3248000    
 N   -4.509100     -0.5555000      0.4085000    
 N    1.874800      0.4873000     -9.0800002E-02
 C   -2.056000     -0.9127000      0.4403000    
 C   -2.917400       1.289400     -4.9400002E-02
 C  -0.5367000      0.9011000     -2.9600000E-02
 C   -3.432200      -1.510500      0.1374000    
 C   -4.288500      0.6785000     -0.3492000    
 C   0.5670000     -9.6199997E-02 -0.3688000    
 C    2.939800     -0.4560000     -0.3998000    
 C    4.327800      0.1428000     -0.1591000    
 C    4.564600      0.5389000       1.292600    
 H   -1.956200     -0.7334000       1.519100    
 H   -1.344600      -1.694300      0.1599000    
 H   -2.788900       2.177100     -0.6804000    
 H   -2.883900       1.623000      0.9967000    
 H  -0.3957000       1.807300     -0.6329000    
 H  -0.4651000       1.198300       1.025500    
 H   -3.481800      -1.842100     -0.9077000    
 H   -3.584800      -2.398100      0.7615000    
 H   -5.069200       1.399500     -8.2900003E-02
 H   -4.389100      0.4804000      -1.424000    
 H   0.4960000     -0.9956000      0.2485000    
 H   0.4954000     -0.3901000      -1.423500    
 H   -5.403300     -0.9648000      0.1402000    
 H    1.997200       1.337200     -0.6406000    
 H    2.834900      -1.366300      0.2049000    
 H    2.874300     -0.7762000      -1.447900    
 H    4.485100       1.016600     -0.8023000    
 H    5.593400      0.8907000       1.427400    
 H    4.439100     -0.3221000       1.958500    
 H    3.885400       1.333600       1.614400    
 H    5.187100      -1.051200      -1.446000    


%chk=000108259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108259

0 1
O 5.565955 -0.506215 -0.614612
N -1.870957 0.214261 -0.214877
N -4.611149 -0.417361 0.386871
N 1.923912 0.450565 -0.280045
C -2.221103 -0.909080 0.694787
C -2.912991 1.274032 -0.154369
C -0.512475 0.753499 0.034637
C -3.596612 -1.492200 0.323512
C -4.287475 0.694280 -0.533624
C 0.603057 -0.188981 -0.463606
C 3.090021 -0.393051 -0.598927
C 4.406611 0.276387 -0.136397
C 4.536749 0.349005 1.384532
H -2.250095 -0.569985 1.761443
H -1.456175 -1.701090 0.605582
H -2.640829 2.077009 -0.865131
H -2.987224 1.721099 0.869178
H -0.429773 1.712669 -0.516581
H -0.332472 0.983469 1.114174
H -3.515279 -1.949908 -0.693338
H -3.864987 -2.287268 1.043370
H -5.058156 1.481220 -0.437198
H -4.244361 0.371448 -1.603256
H 0.605845 -1.126080 0.125264
H 0.378978 -0.468141 -1.521368
H -5.570255 -0.766997 0.268553
H 1.971435 1.361044 -0.759752
H 2.981769 -1.360187 -0.071440
H 3.174381 -0.631631 -1.693833
H 4.447704 1.304914 -0.567000
H 5.440045 0.912364 1.674444
H 4.617081 -0.671660 1.799521
H 3.643006 0.838688 1.807389
H 5.501319 -0.606518 -1.599505


