%chk=000029348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029348

0 1
 O    1.906100     -0.7469000       1.328000    
 N    1.007000       1.056100      0.1792000    
 C   -1.306300     -0.5842000     -0.9419000    
 C   -3.358500     -0.7047000     -7.9999998E-02
 C   -1.408400      0.7217000     -0.1164000    
 C   -2.794700      0.5862000      0.5663000    
 C   -2.736400     -0.6930000      -1.478600    
 C   -1.231800      -1.831100     -4.4100001E-02
 C   -2.642900      -1.911900      0.5555000    
 C  -0.2730000      0.9601000      0.8680000    
 C   -3.681300       1.801200      0.3086000    
 C    1.103200       2.129300     -0.8084000    
 C    2.025900      0.1471000      0.4861000    
 C    3.328500      0.3105000     -0.2864000    
 C    4.381700     -0.7227000      0.1131000    
 C    5.681000     -0.5176000     -0.6489000    
 H  -0.5335000     -0.5577000      -1.713400    
 H   -4.447400     -0.7845000     -5.0200000E-02
 H   -1.452800       1.561100     -0.8237000    
 H   -2.700300      0.4613000       1.652100    
 H   -2.918000      -1.616700      -2.038800    
 H   -3.039000      0.1640000      -2.088100    
 H  -0.4596000      -1.787100      0.7249000    
 H   -1.037400      -2.724200     -0.6501000    
 H   -3.124700      -2.850700      0.2595000    
 H   -2.629400      -1.867300       1.649000    
 H  -0.2443000      0.1904000       1.644800    
 H  -0.4313000       1.910400       1.393400    
 H   -3.840400       1.976500     -0.7601000    
 H   -4.662600       1.663700      0.7745000    
 H   -3.228700       2.702700      0.7346000    
 H   0.5816000       3.018400     -0.4415000    
 H   0.6519000       1.790000      -1.745000    
 H    2.138300       2.405900      -1.011600    
 H    3.112700      0.2264000      -1.357500    
 H    3.727000       1.310400     -8.1699997E-02
 H    4.004400      -1.734100     -7.9999998E-02
 H    4.581600     -0.6580000       1.189400    
 H    6.418700      -1.268500     -0.3493000    
 H    6.102500      0.4722000     -0.4467000    
 H    5.521300     -0.6096000      -1.727900    


%chk=000029348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029348

0 1
O 1.824302 -0.756594 1.269518
N 1.041698 1.162704 0.205595
C -1.309588 -0.667648 -0.949762
C -3.404635 -0.762150 -0.049052
C -1.422382 0.682407 -0.170029
C -2.839963 0.581783 0.525656
C -2.770870 -0.805676 -1.471670
C -1.218657 -1.875090 0.031794
C -2.664878 -1.941540 0.651414
C -0.294931 1.016216 0.830287
C -3.737642 1.804982 0.248475
C 1.224005 2.287632 -0.725377
C 2.028542 0.212878 0.467833
C 3.378182 0.392517 -0.247371
C 4.330379 -0.797625 -0.012585
C 5.702492 -0.582391 -0.685002
H -0.517656 -0.665271 -1.718362
H -4.505291 -0.828660 -0.000054
H -1.471023 1.497467 -0.924901
H -2.711935 0.483801 1.623828
H -2.954866 -1.760018 -1.997805
H -3.086800 0.028699 -2.124625
H -0.420165 -1.753346 0.782508
H -0.989724 -2.797228 -0.533815
H -3.155334 -2.905471 0.421012
H -2.660646 -1.825998 1.751068
H -0.201910 0.227445 1.594920
H -0.544504 1.965962 1.348867
H -3.966114 1.897235 -0.830414
H -4.698836 1.730114 0.791066
H -3.245156 2.744235 0.566662
H 0.572940 3.122779 -0.410786
H 0.958114 2.023023 -1.768961
H 2.263855 2.651172 -0.714980
H 3.212209 0.533489 -1.334854
H 3.861162 1.326099 0.111987
H 3.856369 -1.720940 -0.394087
H 4.451259 -0.951447 1.074646
H 6.370423 -1.445124 -0.508647
H 6.206852 0.319221 -0.287253
H 5.601426 -0.454541 -1.780047


