%chk=000015459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015459

0 1
 O   -2.620100      0.9320000     -0.2804000    
 O  -0.1533000     -3.3000000E-03  -1.325600    
 O   -3.548700       1.459700       1.747900    
 N   -3.954100     -0.5776000      0.7002000    
 C   -2.511800     -0.2760000      -1.059700    
 C   -3.646100      -1.151500     -0.5683000    
 C   -1.138700     -0.8894000     -0.8239000    
 C   -3.393700      0.6739000      0.8238000    
 C    1.067700     -1.1100000E-02 -0.6989000    
 C    1.527600      -1.180600     -0.1066000    
 C    1.828700       1.150800     -0.6647000    
 C    2.768500      -1.188500      0.5304000    
 C    3.069700       1.142700     -2.7799999E-02
 C    3.539500     -2.6900001E-02  0.5697000    
 C    3.270700      -2.439100       1.169200    
 C    3.894000       2.384900      1.4900000E-02
 H   -2.634100     -1.5000000E-02  -2.116600    
 H   -4.534100      -1.047500      -1.199800    
 H   -3.395600      -2.210500     -0.4673000    
 H   -1.016900      -1.050100      0.2556000    
 H   -1.060200      -1.847700      -1.349900    
 H   -4.589900     -0.9857000       1.378100    
 H   0.9635000      -2.107900     -0.1491000    
 H    1.455300       2.057100      -1.134200    
 H    4.508800     -3.3100002E-02   1.062900    
 H    3.973600      -2.218000       1.979700    
 H    2.447600      -3.013600       1.607700    
 H    3.779500      -3.062000      0.4268000    
 H    4.484500       2.434600      0.9361000    
 H    3.263300       3.280100     -9.3999999E-03
 H    4.575000       2.413300     -0.8413000    


%chk=000015459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015459

0 1
O -3.129020 0.668546 0.614505
O -0.245788 0.443307 -0.433803
O -5.269530 0.934995 1.563629
N -4.809631 -0.674624 -0.124161
C -2.580305 -0.110483 -0.536974
C -3.631546 -1.236285 -0.789480
C -1.195033 -0.642686 -0.199746
C -4.515148 0.357591 0.763828
C 1.115541 0.189675 -0.164774
C 1.616127 -1.042457 0.308999
C 1.984171 1.280525 -0.412158
C 3.011019 -1.189435 0.541336
C 3.369147 1.145173 -0.189120
C 3.870608 -0.098713 0.287893
C 3.552905 -2.508822 1.067230
C 4.315442 2.304411 -0.451936
H -2.516293 0.582911 -1.394368
H -3.791453 -1.395348 -1.869597
H -3.318209 -2.198614 -0.332496
H -1.169619 -0.975894 0.857400
H -0.953255 -1.505740 -0.858805
H -5.733456 -1.100114 -0.134729
H 0.951402 -1.890010 0.508271
H 1.555088 2.220551 -0.773669
H 4.947549 -0.210562 0.465268
H 4.655128 -2.500341 1.115486
H 3.174326 -2.719150 2.085749
H 3.248927 -3.356378 0.424619
H 4.863884 2.588516 0.465815
H 3.774788 3.196246 -0.811482
H 5.072434 2.037205 -1.213228


