%chk=000050520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050520

0 1
 O   -5.146600     -0.7233000     -0.4605000    
 N    2.611900     -0.3633000     -0.7006000    
 N   0.3648000     -0.7535000      -1.201900    
 N    1.013700       1.400000     -0.5022000    
 C    1.316100      0.1558000     -0.7518000    
 C    3.068800      -1.606100     -0.2143000    
 C   -1.034000     -0.7459000      -1.013300    
 C    2.087300       2.316600     -0.1460000    
 C    1.568300       3.692700      0.1640000    
 C    3.971400      -4.064700      0.7467000    
 C    2.288200      -2.332600      0.6850000    
 C    4.300700      -2.108900     -0.6329000    
 C    2.739500      -3.561900       1.165500    
 C    4.752000      -3.338300     -0.1525000    
 C   -1.574500     -0.2515000      0.1731000    
 C   -1.873700      -1.232600      -2.014300    
 C   -3.797700     -0.7306000     -0.6419000    
 C   -2.956800     -0.2439000      0.3589000    
 C   -3.256200      -1.225000      -1.828500    
 C    1.454400       4.628800     -0.8560000    
 C    1.209000       4.012800       1.467100    
 C    4.454200      -5.378800       1.260500    
 C   0.9733000       5.906100     -0.5684000    
 C   0.7277000       5.290100       1.754800    
 C   0.6099000       6.236700      0.7370000    
 C   -5.622600     -0.8534000      0.8783000    
 C   -6.975200      -1.483700      0.8474000    
 C   -7.273700      -2.641600       1.446800    
 H    3.380000      0.2882000     -0.8390000    
 H    2.811000       2.396200     -0.9680000    
 H    2.641200       1.944700      0.7263000    
 H   0.6948000      -1.517500      -1.785500    
 H    1.335000      -1.957200       1.046100    
 H    4.917500      -1.552100      -1.333800    
 H    2.125400      -4.115600       1.870800    
 H    5.714200      -3.718700     -0.4850000    
 H  -0.9391000      0.1238000      0.9709000    
 H   -1.463500      -1.619600      -2.943500    
 H   -3.337900      0.1722000       1.286700    
 H   -3.906300      -1.605400      -2.611500    
 H    1.732300       4.381300      -1.876800    
 H    1.294500       3.282400       2.266700    
 H    5.039200      -5.233000       2.174000    
 H    5.080800      -5.886800      0.5195000    
 H    3.616200      -6.048000       1.483400    
 H   0.8809000       6.642900      -1.360800    
 H   0.4440000       5.547400       2.771100    
 H   0.2349000       7.231000      0.9610000    
 H   -5.704200      0.1428000       1.327900    
 H   -4.950000      -1.469700       1.489300    
 H   -7.758600     -0.9601000      0.3059000    
 H   -8.278200      -3.046500       1.388800    
 H   -6.530200      -3.203600       2.001200    


%chk=000050520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050520

0 1
O -5.122847 -1.506800 -0.317827
N 2.769867 -0.405582 -0.367134
N 0.509971 -1.003415 -0.687206
N 1.024085 1.250901 -0.136243
C 1.408830 0.016569 -0.366292
C 3.305274 -1.709589 -0.170756
C -0.905729 -1.030487 -0.574354
C 2.024463 2.244636 0.291638
C 1.381638 3.600336 0.581646
C 4.503891 -4.288423 0.238060
C 2.675952 -2.676780 0.661439
C 4.541371 -2.044343 -0.787080
C 3.268034 -3.944304 0.843362
C 5.128989 -3.307972 -0.574850
C -1.687131 0.054148 -0.103525
C -1.562252 -2.238333 -0.950824
C -3.733120 -1.276194 -0.375836
C -3.090797 -0.072925 0.001299
C -2.957231 -2.360550 -0.855575
C 0.128599 3.949933 0.024052
C 2.066023 4.549930 1.380925
C 5.150481 -5.641420 0.479247
C -0.427361 5.228753 0.256232
C 1.512173 5.828588 1.615501
C 0.261638 6.173774 1.051431
C -5.970285 -0.386400 0.137707
C -7.403257 -0.833449 0.023908
C -8.322401 -0.697766 1.010306
H 3.444768 0.328129 -0.587487
H 2.796452 2.415537 -0.501746
H 2.583869 1.903891 1.192621
H 0.933913 -1.859903 -1.049577
H 1.745398 -2.430472 1.182286
H 5.034138 -1.315761 -1.443000
H 2.763620 -4.674671 1.487944
H 6.084413 -3.540645 -1.060771
H -1.181636 0.982571 0.168094
H -0.973537 -3.088505 -1.319880
H -3.662408 0.780672 0.378049
H -3.465095 -3.285439 -1.145030
H -0.393560 3.204239 -0.583124
H 3.034623 4.288265 1.827644
H 5.780599 -5.627406 1.390150
H 5.800385 -5.936015 -0.363588
H 4.394207 -6.434152 0.618177
H -1.397862 5.487775 -0.183108
H 2.050890 6.550816 2.239809
H -0.170440 7.164552 1.232926
H -5.782626 0.493019 -0.517167
H -5.716780 -0.109693 1.181278
H -7.682672 -1.269390 -0.944731
H -9.364761 -1.001775 0.866453
H -8.060664 -0.279371 1.990227


