%chk=000073433.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073433

0 1
 O   -5.076700     -0.1340000      0.2026000    
 O    4.988200      0.3106000      0.4328000    
 N   -1.421600      0.2945000      0.3426000    
 N    1.384400     -0.2129000     -0.1513000    
 C  -0.4969000       1.413900      0.1056000    
 C   0.4496000      -1.335800      7.6800004E-02
 C  -0.9889000     -0.9367000     -0.3244000    
 C   0.9141000      0.9902000      0.5561000    
 C   -2.810500      0.6111000      2.6900001E-02
 C    2.752300     -0.5235000      0.2713000    
 C  -0.4763000       1.957500      -1.332600    
 C   0.8396000      -2.592400     -0.7137000    
 C   -3.736800     -0.4913000      0.5150000    
 C    3.679500      0.6487000     -7.4000000E-03
 H  -0.7997000       2.242600      0.7599000    
 H   0.4463000      -1.596500       1.145200    
 H   -1.069400     -0.8429000      -1.415500    
 H   -1.613600      -1.784700     -2.9899999E-02
 H    1.540600       1.863400      0.3600000    
 H   0.9191000      0.8249000       1.642700    
 H   -2.966900      0.7611000      -1.048800    
 H   -3.107400       1.549800      0.5125000    
 H    3.150400      -1.383800     -0.2780000    
 H    2.797300     -0.7913000       1.335300    
 H  -0.2020000       1.193400      -2.066500    
 H   -1.449200       2.369700      -1.618100    
 H   0.2512000       2.772400      -1.420400    
 H   6.1200000E-02  -3.359500     -0.6325000    
 H   0.9764000      -2.367900      -1.777400    
 H    1.762300      -3.042200     -0.3347000    
 H   -3.656900     -0.6259000       1.598900    
 H   -3.566800      -1.449700      2.0900000E-02
 H    3.428900       1.552800      0.5486000    
 H    3.719100      0.8803000      -1.077100    
 H   -5.648900     -0.8437000      0.5410000    
 H    5.565800       1.063900      0.2213000    


%chk=000073433-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073433

0 1
O -5.218521 -0.105109 0.142567
O 5.076579 0.257434 0.255419
N -1.493350 0.186518 0.207775
N 1.367408 -0.167792 0.054729
C -0.599670 1.379023 0.215879
C 0.476682 -1.368701 0.061185
C -0.900309 -0.959643 -0.515223
C 0.747806 0.942483 0.825962
C -2.899428 0.462027 -0.163866
C 2.771549 -0.395919 0.482122
C -0.407553 2.070399 -1.163324
C 1.044729 -2.528904 -0.781397
C -3.866969 -0.414105 0.645207
C 3.731375 0.523706 -0.286780
H -1.055837 2.110396 0.913816
H 0.306418 -1.722191 1.111612
H -0.774376 -0.753553 -1.607564
H -1.583999 -1.823829 -0.421796
H 1.441352 1.802953 0.829363
H 0.571959 0.640044 1.888805
H -3.101292 0.305090 -1.249249
H -3.131503 1.520380 0.055563
H 3.070412 -1.435526 0.275748
H 2.912592 -0.228876 1.575642
H 0.193348 1.437646 -1.838722
H -1.380386 2.285100 -1.642355
H 0.122818 3.032846 -1.035994
H 0.266462 -3.300462 -0.928377
H 1.361477 -2.160366 -1.774165
H 1.905755 -3.025633 -0.302495
H -3.767108 -0.173021 1.723211
H -3.630487 -1.489871 0.501117
H 3.453189 1.589333 -0.142831
H 3.674675 0.288271 -1.369262
H -5.888961 -0.602360 0.674002
H 5.740964 0.808312 -0.228625


