%chk=000086307.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086307

0 1
 O   -3.468500      0.5085000      0.2822000    
 O   0.6541000      0.8889000       1.729100    
 N   -1.292900       1.132900     -0.2374000    
 N   1.6799999E-02  0.7690000     -0.4977000    
 C   -1.508800       2.567400     -0.2919000    
 C   -2.016000       3.055600       1.069800    
 C  -0.1851000       3.260500     -0.6314000    
 C   -2.551200       2.882200      -1.371100    
 C   -2.296600      0.2203000      4.6599999E-02
 C   -1.941600      -1.211400      5.6299999E-02
 C   0.9175000      0.6733000      0.5489000    
 C    2.295100      0.2649000      0.1733000    
 C   -1.513100      -1.794300       1.236900    
 C   -2.044100      -1.941700      -1.115400    
 C   -1.177200      -3.148200       1.245900    
 C   -1.708300      -3.295500      -1.106400    
 C    3.349400      0.6673000      0.9669000    
 C    2.477200     -0.5039000     -0.9576000    
 C   -1.274800      -3.898700      7.4299999E-02
 C    4.643300      0.2838000      0.6141000    
 C    3.771000     -0.8875000      -1.310600    
 C    4.854000     -0.4935000     -0.5247000    
 H   -3.004400       2.661700       1.324600    
 H   -1.332900       2.769200       1.877200    
 H   -2.099100       4.148800       1.082400    
 H   0.2422000       2.937600      -1.588500    
 H   0.5705000       3.176200      0.1565000    
 H  -0.3579000       4.340000     -0.7401000    
 H   -3.544100       2.487800      -1.135900    
 H   -2.664100       3.965100      -1.500000    
 H   -2.253600       2.463100      -2.339600    
 H   0.2391000      0.6158000      -1.475400    
 H   -1.436800      -1.217000       2.153800    
 H   -2.380100      -1.478300      -2.038700    
 H  -0.8397000      -3.617800       2.165200    
 H   -1.783700      -3.879900      -2.018800    
 H    3.202100       1.277000       1.853400    
 H    1.659200     -0.8585000      -1.575900    
 H   -1.013000      -4.952700      8.1200004E-02
 H    5.486800      0.5912000       1.225300    
 H    3.935000      -1.499300      -2.192900    
 H    5.861200     -0.7934000     -0.7987000    


%chk=000086307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086307

0 1
O -3.478232 0.520293 -0.433233
O 0.793513 1.055271 1.797084
N -1.257212 1.206776 -0.187518
N 0.074367 0.810568 -0.413997
C -1.601015 2.703199 -0.221406
C -2.550091 3.008152 0.965557
C -0.305864 3.530018 -0.049461
C -2.261026 3.050312 -1.583571
C -2.259387 0.215540 -0.251391
C -1.849564 -1.229385 -0.105128
C 1.035276 0.731421 0.597030
C 2.382176 0.243040 0.135969
C -1.033683 -1.688965 0.960926
C -2.426689 -2.167856 -0.998953
C -0.781673 -3.070274 1.110827
C -2.155699 -3.545828 -0.858353
C 3.525918 0.705353 0.835539
C 2.540077 -0.682442 -0.929840
C -1.330004 -4.000735 0.196848
C 4.813486 0.275034 0.454756
C 3.830569 -1.116914 -1.304435
C 4.969520 -0.632698 -0.620186
H -3.497786 2.456526 0.874302
H -2.061982 2.735777 1.917521
H -2.773646 4.090499 0.981820
H 0.403340 3.379268 -0.882693
H 0.198365 3.293715 0.901781
H -0.585991 4.597974 -0.037223
H -3.186620 2.472267 -1.728625
H -2.508655 4.127290 -1.607161
H -1.569264 2.843240 -2.422142
H 0.351029 0.642272 -1.385585
H -0.627078 -0.976672 1.686649
H -3.097449 -1.806728 -1.785955
H -0.162291 -3.418854 1.944494
H -2.597223 -4.263066 -1.559094
H 3.382095 1.392090 1.676066
H 1.663780 -1.108004 -1.433414
H -1.127806 -5.071322 0.314480
H 5.693317 0.641433 0.994547
H 3.946272 -1.841034 -2.118098
H 5.969730 -0.970052 -0.913535


