%chk=000029309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029309

0 1
 O   5.0400000E-02 -0.8960000      -1.463500    
 N    1.942200     -0.7896000      0.7170000    
 C   0.5062000     -0.6627000      0.9193000    
 C  -0.1414000     -3.6699999E-02 -0.3364000    
 C    2.538900      0.5041000      0.4020000    
 C    4.056800      0.4102000      0.1700000    
 C  -5.0500002E-02  -2.051800       1.236800    
 C   -1.633100      0.1861000     -0.2059000    
 C    4.345800     -0.5772000     -0.9640000    
 C    4.686200       1.766900     -0.1564000    
 C   -2.502200     -0.8186000     -0.5934000    
 C   -2.094300       1.389700      0.2976000    
 C   -3.876600     -0.6131000     -0.4733000    
 C   -3.468700       1.595100      0.4178000    
 C   -4.359800      0.5936000      3.2400001E-02
 H   0.3149000     -1.8900000E-02   1.788100    
 H   0.2635000      0.9414000     -0.6060000    
 H    2.346500       1.217000       1.213500    
 H    2.149500      0.9341000     -0.5231000    
 H    4.531700      3.1800002E-02   1.084600    
 H    2.381200      -1.175800       1.552300    
 H   -1.105800      -2.005600       1.521600    
 H   5.0799999E-02  -2.742700      0.3927000    
 H   0.4787000      -2.495200       2.089100    
 H    3.846700     -0.2774000      -1.892000    
 H    5.421800     -0.6279000      -1.164800    
 H    4.019300      -1.591400     -0.7128000    
 H    4.269500       2.187200      -1.078000    
 H    5.769800       1.674000     -0.2842000    
 H    4.503600       2.480300      0.6540000    
 H   -2.156500      -1.772500     -0.9799000    
 H   -1.408000       2.174100      0.6034000    
 H    1.007800      -1.032200      -1.565300    
 H   -4.570700      -1.393700     -0.7708000    
 H   -3.845100       2.534400      0.8124000    
 H   -5.429900      0.7532000      0.1268000    


%chk=000029309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029309

0 1
O 0.166315 -0.919648 -1.396287
N 1.891925 -0.556165 0.595907
C 0.469964 -0.271109 0.944508
C -0.250809 0.078002 -0.418190
C 2.778440 0.621867 0.422628
C 4.221685 0.212585 0.039622
C -0.141191 -1.504314 1.632826
C -1.765417 0.124792 -0.304461
C 4.271764 -0.495043 -1.334005
C 5.144472 1.453731 0.059607
C -2.570691 -0.899612 -0.857366
C -2.388341 1.201820 0.376697
C -3.976514 -0.855562 -0.717262
C -3.793117 1.243367 0.522240
C -4.593189 0.211758 -0.023378
H 0.382430 0.609745 1.621849
H 0.108942 1.084827 -0.733484
H 2.807983 1.249313 1.346333
H 2.362885 1.257887 -0.383693
H 4.587772 -0.499192 0.812939
H 2.307613 -1.245634 1.236925
H -1.184381 -1.310282 1.929891
H -0.137794 -2.370771 0.946976
H 0.430115 -1.768455 2.543394
H 3.939044 0.191858 -2.135897
H 5.300992 -0.820950 -1.572568
H 3.615391 -1.382609 -1.354738
H 4.806994 2.203247 -0.681991
H 6.183206 1.175487 -0.195076
H 5.154467 1.938477 1.053881
H -2.076314 -1.707971 -1.404025
H -1.777392 2.016220 0.788039
H 1.100230 -1.148594 -1.080007
H -4.591552 -1.651027 -1.154092
H -4.263193 2.080728 1.050927
H -5.683535 0.245430 0.082929


