%chk=000044753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044753

0 1
 O   -4.342300      -1.165100     -4.5800000E-02
 N    2.055300     -0.3112000     -0.1823000    
 N    1.268500      0.7269000      -2.193900    
 C    1.778600      -1.017100       1.066200    
 C    3.461700      2.7000001E-03 -0.4191000    
 C    1.803100      -2.540900      0.8824000    
 C    3.718700       1.516000     -0.4310000    
 C    1.029300      9.9500000E-02  -1.064000    
 C    3.152000      -3.035300      0.3570000    
 C    1.421700      -3.281300       2.165400    
 C    3.308700       2.179300      0.8850000    
 C    5.172100       1.849900     -0.7715000    
 C  -0.3747000     -0.1666000     -0.7636000    
 C   -1.176300      0.7377000     -4.8099998E-02
 C   -2.530200      0.4122000      0.2045000    
 C  -0.9005000      -1.374300      -1.223500    
 C   -3.042400     -0.8081000     -0.2655000    
 C   -2.231800      -1.694500     -0.9750000    
 C  -0.6641000       1.958000      0.4221000    
 C   -3.331900       1.316100      0.9205000    
 C   -1.475200       2.844500       1.131100    
 C   -2.806400       2.524100       1.380000    
 C   -5.293900     -0.7724000      -1.030700    
 H   0.8150000     -0.7100000       1.487000    
 H    2.512000     -0.7304000       1.831800    
 H    3.759300     -0.4230000      -1.385500    
 H    4.114900     -0.4564000      0.3323000    
 H    1.055900      -2.817100      0.1306000    
 H    3.114600       1.983500      -1.215300    
 H    3.974800      -2.720900       1.007200    
 H    3.167200      -4.130400      0.3158000    
 H    3.345900      -2.685400     -0.6606000    
 H    2.141800      -3.079000       2.965400    
 H    1.392200      -4.363300       1.999700    
 H   0.4313000      -2.968700       2.512600    
 H    3.941800       1.829200       1.707900    
 H    3.421100       3.267000      0.8192000    
 H    2.274300       1.970600       1.158400    
 H    5.856900       1.441900     -2.0600000E-02
 H    5.324300       2.933400     -0.8167000    
 H    5.447700       1.431400      -1.745100    
 H  -0.2845000      -2.072600      -1.784900    
 H   -2.632900      -2.637300      -1.337600    
 H   0.3572000       2.262200      0.2229000    
 H   0.3951000      0.9358000      -2.689900    
 H   -4.374600       1.097500       1.138700    
 H   -1.068900       3.788300       1.483000    
 H   -3.437200       3.215000       1.931900    
 H   -6.288800      -1.059100     -0.6791000    
 H   -5.096600      -1.287400      -1.976200    
 H   -5.277900      0.3110000      -1.186000    


%chk=000044753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044753

0 1
O -4.548566 -0.603851 -0.254784
N 2.031173 -0.153928 -0.226924
N 1.505026 0.678898 -2.359855
C 1.679107 -0.902545 0.999478
C 3.455079 0.148916 -0.512975
C 1.551857 -2.445185 0.834077
C 3.833445 1.638268 -0.288691
C 1.092098 0.165370 -1.206927
C 2.854889 -3.101026 0.325681
C 1.105971 -3.061943 2.181356
C 3.698672 2.053425 1.193708
C 5.267910 1.886831 -0.809415
C -0.369421 -0.066762 -0.901647
C -1.118376 0.855551 -0.075473
C -2.536655 0.647334 0.127813
C -1.041199 -1.134481 -1.506651
C -3.175442 -0.480010 -0.510240
C -2.438862 -1.353774 -1.318949
C -0.503429 1.993202 0.546893
C -3.278362 1.562469 0.941318
C -1.247484 2.873468 1.336195
C -2.645576 2.656063 1.538432
C -5.257384 -1.719290 -0.884983
H 0.726964 -0.514617 1.406082
H 2.459552 -0.688583 1.755119
H 3.655034 -0.106497 -1.570370
H 4.081179 -0.494878 0.133135
H 0.754297 -2.631839 0.087052
H 3.133150 2.237802 -0.901919
H 3.683253 -2.948902 1.045575
H 2.718219 -4.191348 0.199668
H 3.164175 -2.684605 -0.649403
H 1.865590 -2.885094 2.968066
H 0.969461 -4.155012 2.088648
H 0.149269 -2.628556 2.528877
H 4.416149 1.495001 1.827700
H 3.908524 3.131788 1.322338
H 2.679922 1.858304 1.576636
H 6.003844 1.264274 -0.262362
H 5.559812 2.944881 -0.675524
H 5.348076 1.645369 -1.885542
H -0.478985 -1.823608 -2.146832
H -2.912163 -2.206868 -1.812526
H 0.565582 2.167144 0.383020
H 0.702207 0.893572 -2.979008
H -4.348725 1.386580 1.078830
H -0.760205 3.738781 1.799151
H -3.220415 3.352850 2.158305
H -6.301920 -1.619651 -0.555642
H -4.849793 -2.692985 -0.550342
H -5.204623 -1.654403 -1.989071


