%chk=000055236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055236

0 1
 O   -2.135000      -2.741600     -0.1100000    
 O   -4.803900       2.755100      -1.805100    
 N    1.218400      -2.044700      0.4615000    
 N    3.418500     -0.2437000      0.1862000    
 C    1.756600      -1.345500       1.634900    
 C    2.300400      -2.332700     -0.4879000    
 C    2.412600     -2.2600001E-02   1.232600    
 C    2.975800      -1.042900     -0.9605000    
 C   0.5465000      -3.279700      0.8639000    
 C  -8.1200004E-02  -3.960200     -0.3484000    
 C    4.412300      0.7261000      1.3900000E-02
 C   -1.094600      -3.054400      -1.035000    
 C   -4.449800       1.039500       1.972100    
 C   -3.878800      0.3705000      0.7511000    
 C   -4.488500       2.552100       1.800300    
 C   -5.248200       2.928900      0.5390000    
 C   -3.987100      0.9519000     -0.5218000    
 C    4.564400       1.398700      -1.215100    
 C    5.290500       1.060200       1.064200    
 C   -4.669900       2.261000     -0.6892000    
 C   -2.741300      -1.530700     -0.2459000    
 C   -3.262200     -0.8826000      0.8744000    
 C   -3.463300      0.3007000      -1.645000    
 C   -2.839400     -0.9384000      -1.502600    
 C    5.554400       2.366300      -1.386900    
 C    6.280400       2.027800      0.8924000    
 C    6.412400       2.680700     -0.3330000    
 H   0.9486000      -1.124300       2.342900    
 H    2.488900      -1.974000       2.159500    
 H    3.049900      -2.995500     -3.4499999E-02
 H    1.939000      -2.818600      -1.398000    
 H    1.653300      0.6776000      0.8606000    
 H    2.853600      0.4260000       2.130200    
 H    2.273500     -0.4608000      -1.571300    
 H    3.829400      -1.317000      -1.593100    
 H  -0.2345000      -3.058300       1.601800    
 H    1.246700      -3.974600       1.345800    
 H  -0.6117000      -4.847300      2.3200000E-02
 H   0.6550000      -4.339900      -1.062300    
 H   -1.537800      -3.591800      -1.881600    
 H  -0.5861000      -2.162400      -1.419600    
 H   -3.841700      0.8011000       2.852800    
 H   -5.460100      0.6509000       2.148000    
 H   -4.962200       3.014200       2.673600    
 H   -3.464300       2.943600       1.742400    
 H   -5.192300       4.014200      0.3993000    
 H   -6.303500       2.645000      0.6175000    
 H    3.906400       1.189800      -2.054900    
 H    5.215000      0.5554000       2.024700    
 H   -3.182900      -1.355700       1.850700    
 H   -3.540900      0.7362000      -2.637500    
 H   -2.475600      -1.423700      -2.403700    
 H    5.655800       2.877000      -2.340100    
 H    6.950400       2.270900       1.711900    
 H    7.183200       3.434000     -0.4667000    


%chk=000055236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055236

0 1
O -2.047825 -1.933437 0.192009
O -5.914979 2.993500 -1.441310
N 1.740257 -1.841102 0.332621
N 4.238273 -0.395951 0.025374
C 2.252656 -0.969971 1.418836
C 2.884091 -2.430835 -0.402474
C 3.121644 0.153469 0.830609
C 3.779527 -1.337306 -1.013165
C 0.765567 -2.855896 0.806652
C -0.162073 -3.347260 -0.327456
C 5.393142 0.395861 -0.208833
C -1.052607 -2.228768 -0.868156
C -5.918833 0.503088 2.007671
C -4.882564 0.312815 0.908315
C -6.412517 1.964842 2.079685
C -6.933637 2.422603 0.699654
C -4.894774 1.155868 -0.249856
C 6.081741 0.367823 -1.460145
C 5.933921 1.223730 0.823424
C -5.898278 2.246171 -0.414746
C -2.957462 -0.898033 -0.023975
C -3.909596 -0.699180 1.007612
C -3.933667 0.946244 -1.273569
C -2.969439 -0.069777 -1.180312
C 7.259701 1.120295 -1.657370
C 7.103790 1.977965 0.610616
C 7.784164 1.934700 -0.629911
H 1.392873 -0.520877 1.949303
H 2.858408 -1.549623 2.160747
H 3.507834 -3.069619 0.274122
H 2.506880 -3.072217 -1.219307
H 2.477304 0.805058 0.196427
H 3.516878 0.769469 1.652529
H 3.216564 -0.811271 -1.820044
H 4.657066 -1.827998 -1.468597
H 0.137740 -2.388800 1.587389
H 1.276371 -3.733321 1.275433
H -0.798632 -4.170755 0.047619
H 0.434516 -3.756647 -1.165445
H -1.589035 -2.537849 -1.787181
H -0.440530 -1.327867 -1.068771
H -5.502340 0.180139 2.979679
H -6.788602 -0.157504 1.804315
H -7.214019 2.059039 2.835990
H -5.580818 2.622447 2.399323
H -7.257306 3.478167 0.701337
H -7.823393 1.817081 0.422516
H 5.691149 -0.220653 -2.295211
H 5.458476 1.257774 1.808856
H -3.868185 -1.354892 1.884002
H -3.971182 1.606445 -2.146856
H -2.243228 -0.209947 -1.985483
H 7.761089 1.077180 -2.631571
H 7.494036 2.596304 1.427653
H 8.694963 2.521080 -0.788872


