%chk=000027002.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027002

0 1
 O  -0.2074000      -1.557100      -1.437900    
 O    1.492300       2.636300     -0.7651000    
 O    3.773600      -1.054900      0.9177000    
 N    1.741600      -1.360300     -0.1673000    
 N    2.635500      0.8281000      0.1717000    
 C   0.3124000      0.5840000     -0.5430000    
 C  -0.5361000      0.7290000      0.7181000    
 C   0.5857000     -0.8752000     -0.7871000    
 C    1.533000       1.455100     -0.4177000    
 C   -1.971000      0.3792000      0.4793000    
 C    2.782500     -0.5652000      0.3647000    
 C    1.945200      -2.805000     -0.1455000    
 C    3.772500       1.660600      0.5503000    
 C   -2.867700       1.367100      7.9700001E-02
 C   -2.403400     -0.9326000      0.6571000    
 C   -4.205400       1.041100     -0.1431000    
 C   -3.741200      -1.258500      0.4341000    
 C   -4.642200     -0.2716000      3.3900000E-02
 H  -0.2283000      0.9533000      -1.426000    
 H  -0.4851000       1.757800       1.101000    
 H  -0.1398000      0.1092000       1.534500    
 H    2.733400      -3.051900     -0.8637000    
 H    1.034200      -3.350100     -0.4052000    
 H    2.275400      -3.113200      0.8515000    
 H    4.082500       1.409600       1.569600    
 H    3.536600       2.726400      0.4999000    
 H    4.603000       1.439800     -0.1279000    
 H   -2.538700       2.392700     -6.3900001E-02
 H   -1.715500      -1.710300      0.9777000    
 H   -4.906900       1.809200     -0.4552000    
 H   -4.081800      -2.280300      0.5739000    
 H   -5.683900     -0.5255000     -0.1394000    


%chk=000027002-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027002

0 1
O -0.261544 -1.374436 -1.569829
O 1.659895 2.801159 -0.407225
O 3.766337 -1.196167 0.780798
N 1.698383 -1.320236 -0.295996
N 2.719164 0.813997 0.219973
C 0.349913 0.753216 -0.541970
C -0.579690 0.897755 0.738860
C 0.556287 -0.713172 -0.881086
C 1.620242 1.548441 -0.276445
C -2.001820 0.415164 0.513863
C 2.773849 -0.603464 0.281853
C 1.863749 -2.791482 -0.384580
C 3.930965 1.536319 0.678612
C -2.920548 1.219096 -0.209174
C -2.440906 -0.831579 1.023379
C -4.246209 0.784585 -0.421543
C -3.768149 -1.269465 0.815358
C -4.674379 -0.463073 0.090482
H -0.176976 1.228190 -1.385454
H -0.574616 1.975714 0.986289
H -0.109889 0.356975 1.581577
H 2.749996 -3.042823 -0.989705
H 0.957713 -3.194514 -0.859452
H 1.999601 -3.212840 0.623975
H 4.145741 1.278285 1.727618
H 3.729188 2.612132 0.575727
H 4.800156 1.251552 0.064041
H -2.597289 2.192253 -0.600931
H -1.742043 -1.463583 1.585819
H -4.945436 1.416439 -0.980510
H -4.093089 -2.236297 1.215554
H -5.703597 -0.801341 -0.073180


