%chk=000126850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126850

0 1
 O    5.232600      -1.705500      0.4114000    
 N  -0.1326000     -8.1000000E-02  0.2353000    
 N   -3.862200      -2.295800      0.4304000    
 C   -1.078900      -1.206000      0.3058000    
 C   -2.050500      -1.214000     -0.8876000    
 C    1.229900     -0.4749000      0.2731000    
 C  -0.6684000       1.235400      0.2842000    
 C    1.784900       1.152900      -1.569700    
 C    1.374200       2.417100     -0.8325000    
 C    2.186900      9.5500000E-02 -0.5827000    
 C   1.5300000E-02   2.391400     -0.1650000    
 C   -3.105300      -2.334700     -0.8164000    
 C   -1.294600      -1.294200      -2.218800    
 C    1.666700      -1.469400       1.175200    
 C   -1.951100       1.443400      0.8594000    
 C    3.527800     -0.3253000     -0.5298000    
 C  -0.5773000       3.667800      3.8999999E-03
 C    2.999900      -1.880700       1.223700    
 C    3.931600      -1.308400      0.3689000    
 C   -2.526800       2.708800      0.9980000    
 C   -1.835000       3.826600      0.5734000    
 C   -4.866800      -3.348900      0.4599000    
 H   -1.592100      -1.215700       1.274400    
 H  -0.5649000      -2.176600      0.2626000    
 H   -2.618100     -0.2775000     -0.9233000    
 H    2.638600       1.392000      -2.217000    
 H    1.000900      0.7903000      -2.238500    
 H    1.371300       3.223200      -1.579000    
 H    2.123700       2.687800     -7.6899998E-02
 H   -2.599100      -3.304100     -0.9078000    
 H   -3.788300      -2.238600      -1.670100    
 H  -0.7509000     -0.3718000      -2.422700    
 H   -1.990300      -1.437100      -3.053300    
 H  -0.5866000      -2.129400      -2.227500    
 H   0.9728000      -1.921700       1.881300    
 H   -2.539600      0.6228000       1.261200    
 H    4.259400      0.1233000      -1.198600    
 H  -4.7200002E-02   4.560300     -0.3255000    
 H   -4.318500      -1.388900      0.5244000    
 H    3.301100      -2.644100       1.935700    
 H   -3.507600       2.812400       1.452600    
 H   -2.266100       4.816500      0.6839000    
 H   -5.593000      -3.235700     -0.3516000    
 H   -5.412700      -3.304600       1.407400    
 H   -4.405600      -4.339600      0.3929000    
 H    5.737700      -1.202500     -0.2503000    


%chk=000126850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126850

0 1
O 5.423408 -1.475284 0.596555
N -0.088833 -0.202827 0.023361
N -4.027482 -1.792040 0.226739
C -0.990757 -1.387367 0.015917
C -1.996995 -1.377586 -1.168108
C 1.318731 -0.473661 0.176166
C -0.656978 1.090501 0.276730
C 1.807698 1.248048 -1.603375
C 1.304596 2.488829 -0.825156
C 2.277853 0.180472 -0.643930
C -0.023861 2.331475 -0.079280
C -3.176935 -2.330051 -0.858849
C -1.302155 -1.754688 -2.493999
C 1.761783 -1.446872 1.112500
C -1.940731 1.149662 0.907655
C 3.648732 -0.134713 -0.501638
C -0.682415 3.544461 0.251443
C 3.124464 -1.775524 1.238722
C 4.071704 -1.112955 0.427676
C -2.567949 2.371328 1.214048
C -1.934329 3.591832 0.895705
C -5.073408 -2.715338 0.708518
H -1.550607 -1.500103 0.965857
H -0.347324 -2.278194 -0.092998
H -2.406341 -0.351496 -1.267989
H 2.633097 1.551065 -2.273573
H 0.985510 0.859810 -2.235736
H 1.189458 3.333544 -1.532318
H 2.099399 2.790872 -0.112472
H -2.781295 -3.311875 -0.524379
H -3.749560 -2.524865 -1.800686
H -0.408886 -1.124588 -2.655485
H -1.978231 -1.619308 -3.358508
H -0.972604 -2.812042 -2.481864
H 1.032712 -1.939919 1.764228
H -2.451801 0.223063 1.183894
H 4.383417 0.380584 -1.136180
H -0.188810 4.484908 -0.027499
H -4.416679 -0.875645 -0.035454
H 3.467847 -2.520950 1.961809
H -3.545040 2.363597 1.711319
H -2.405195 4.552207 1.130285
H -5.764508 -3.083425 -0.088644
H -5.679645 -2.218036 1.486270
H -4.598771 -3.601014 1.170397
H 6.002913 -0.955093 -0.013271


