%chk=000029374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029374

0 1
 O  -0.8648000      -1.132300      0.5569000    
 O    1.234000      0.7660000      0.9894000    
 O    1.953400      0.4290000      -1.196400    
 O    4.510200      -1.757200     -0.3487000    
 N    3.383800      5.6000002E-02  0.5900000    
 C   -2.076500      -1.732700      1.4900000E-02
 C   -3.109600     -0.6135000     -0.2542000    
 C   -2.227800      0.5735000     -0.1872000    
 C  -0.9845000      0.2079000      0.3003000    
 C   -1.693800      -2.469900      -1.274800    
 C   -2.599300      -2.730600       1.049400    
 C   -2.511600       1.893500     -0.4881000    
 C   2.0300001E-02   1.133500      0.5075000    
 C   -1.507900       2.846100     -0.2950000    
 C  -0.2495000       2.468200      0.2007000    
 C    2.184200      0.4143000      9.2000002E-03
 C    4.539500     -0.3516000     -0.1738000    
 H   -3.869100     -0.5538000      0.5329000    
 H   -3.602700     -0.7183000      -1.225300    
 H   -2.557400      -2.974800      -1.719600    
 H   -1.277400      -1.778200      -2.016000    
 H  -0.9160000      -3.216800      -1.078900    
 H   -3.515200      -3.222600      0.7065000    
 H   -1.848700      -3.500000       1.263600    
 H   -2.807600      -2.230400       2.002100    
 H   -3.487100       2.187800     -0.8597000    
 H   -1.703300       3.889900     -0.5249000    
 H   0.5143000       3.227800      0.3465000    
 H    3.451000      6.3000001E-02   1.603000    
 H    5.440400     -7.2999999E-02  0.3792000    
 H    4.541300      0.1304000      -1.155200    
 H    4.346000      -2.144900      0.5276000    


%chk=000029374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029374

0 1
O -0.707838 -0.953194 0.485342
O 1.334178 1.160506 0.725191
O 1.781901 -0.028598 -1.287793
O 4.172280 -2.226292 0.274313
N 3.307267 0.065416 0.509279
C -1.930821 -1.725571 -0.043424
C -3.064361 -0.644705 -0.119109
C -2.299828 0.672061 -0.121359
C -0.960803 0.395714 0.240067
C -1.530248 -2.244364 -1.435028
C -2.192505 -2.847264 0.963849
C -2.710915 1.994336 -0.359236
C -0.008798 1.427717 0.335078
C -1.759566 3.041648 -0.239440
C -0.416147 2.757413 0.101211
C 2.116015 0.332208 -0.143846
C 4.321997 -0.807118 -0.062391
H -3.733878 -0.711069 0.760575
H -3.681296 -0.784467 -1.024235
H -2.347837 -2.848373 -1.871068
H -1.308506 -1.403398 -2.115008
H -0.624497 -2.869515 -1.362675
H -3.065083 -3.448238 0.648368
H -1.317238 -3.515955 1.032007
H -2.394877 -2.433222 1.966761
H -3.747898 2.218079 -0.632652
H -2.060175 4.078339 -0.421830
H 0.328988 3.555425 0.179706
H 3.408484 0.442629 1.452827
H 5.316503 -0.430601 0.249669
H 4.226064 -0.782019 -1.157216
H 4.258037 -2.351228 1.253965


