%chk=000054429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054429

0 1
 O   -1.893400     -0.2419000      -1.416600    
 O   -2.130400       2.079900      -2.928200    
 O    2.683700     -0.3757000     -0.2575000    
 O    2.151100      -2.246400      0.9456000    
 N   -2.526700       2.482100      0.7313000    
 N   0.5381000      -1.057800     -0.2729000    
 C   -1.928800       2.590300     -0.5925000    
 C   -2.809900       1.962300      -1.674900    
 C   -1.643500       3.036200       1.748500    
 C   -3.116800      0.4875000      -1.424500    
 C   -2.322700       2.951100       3.111700    
 C  -0.3103000       2.293500       1.753100    
 C   -1.844800      -1.352800     -0.6177000    
 C    4.863100      0.6185000     -0.4548000    
 C  -0.6446000      -1.765600     -4.6200000E-02
 C    6.335800      0.5260000     -6.5600000E-02
 C    4.047900     -0.5119000      0.1572000    
 C   -3.017900      -2.065200     -0.3855000    
 C  -0.6174000      -2.900300      0.7646000    
 C    7.153800       1.631500     -0.7136000    
 C   -2.990600      -3.199800      0.4253000    
 C   -1.790500      -3.617400       1.000300    
 C    1.814900      -1.324100      0.2128000    
 H   -1.752500       3.643800     -0.8462000    
 H  -0.9542000       2.096000     -0.6565000    
 H   -3.754200       2.513600      -1.758000    
 H   -1.455800       4.097600       1.541300    
 H   -3.423500       2.966900      0.7440000    
 H   -3.731500      0.1022000      -2.246700    
 H   -3.673200      0.3986000     -0.4836000    
 H   -3.271300       3.499600       3.114800    
 H   -1.687100       3.387400       3.889800    
 H   -2.531300       1.912300       3.391900    
 H   0.2631000       2.549600       2.651900    
 H  -0.4493000       1.206400       1.759500    
 H   0.3258000       2.562800      0.9043000    
 H   -1.983400       3.026800      -3.093800    
 H    4.756100      0.5908000      -1.546500    
 H    4.445300       1.582300     -0.1377000    
 H    6.741800     -0.4454000     -0.3711000    
 H    6.437800      0.5922000       1.023700    
 H    4.099500     -0.4640000       1.251200    
 H    4.432500      -1.480700     -0.1821000    
 H   -3.967400      -1.798800     -0.8396000    
 H   0.2696000      -3.287900       1.245100    
 H   0.4534000     -0.2391000     -0.8708000    
 H    7.100000       1.571200      -1.805400    
 H    6.793200       2.618100     -0.4056000    
 H    8.204800       1.547000     -0.4202000    
 H   -3.902100      -3.763300      0.6027000    
 H   -1.770400      -4.502300       1.629900    


%chk=000054429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054429

0 1
O -1.521841 -0.062919 -0.698689
O -1.473164 1.934292 -2.763912
O 2.890304 -0.475090 -0.335768
O 2.519809 -2.599298 0.617216
N -2.688981 3.073151 0.636059
N 0.760884 -1.206882 -0.152693
C -1.715716 2.837122 -0.445740
C -2.364745 2.031522 -1.598205
C -2.151150 3.199422 2.021387
C -2.732695 0.608432 -1.189692
C -3.232282 3.848361 2.909394
C -1.743182 1.815571 2.572644
C -1.641158 -1.378233 -0.215600
C 5.053133 0.549297 -0.725275
C -0.389883 -1.990570 0.106916
C 6.591835 0.440322 -0.605736
C 4.351613 -0.684793 -0.156836
C -2.851481 -2.075161 -0.034448
C -0.375344 -3.300149 0.638256
C 7.315358 1.679537 -1.174928
C -2.824905 -3.389514 0.492473
C -1.594709 -3.991642 0.830553
C 2.076432 -1.542781 0.097156
H -1.293004 3.783250 -0.870514
H -0.866350 2.255014 -0.052281
H -3.316641 2.535268 -1.887281
H -1.248941 3.860789 2.036432
H -3.336288 3.840466 0.413564
H -3.134801 0.052504 -2.058571
H -3.485556 0.666667 -0.380336
H -3.488268 4.867493 2.559561
H -2.881573 3.927607 3.953182
H -4.151716 3.234111 2.897771
H -1.278715 1.918073 3.570856
H -2.633267 1.166378 2.658422
H -1.019338 1.305583 1.912462
H -1.113752 2.834714 -2.969926
H 4.767205 0.672208 -1.787760
H 4.698117 1.450699 -0.189127
H 6.939767 -0.468140 -1.137998
H 6.871761 0.305069 0.458774
H 4.562406 -0.824017 0.920348
H 4.645842 -1.610511 -0.686225
H -3.806739 -1.609708 -0.293556
H 0.583394 -3.758570 0.889821
H 0.584985 -0.303718 -0.604782
H 7.077008 1.820514 -2.245939
H 7.009667 2.597950 -0.639323
H 8.412467 1.583047 -1.082225
H -3.765307 -3.932338 0.635322
H -1.574693 -5.006695 1.240998


