%chk=000069726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069726

0 1
 O   0.7236000       2.465800      1.0000000E-03
 O    2.808900      -1.763800      1.0000000E-03
 O   -3.956600     -4.0899999E-02 -3.0000001E-04
 N    1.838200      0.3816000     -5.0000002E-04
 N   0.5187000      -1.601700       0.000000    
 N   -1.818700       1.011000      3.0000001E-04
 N   -1.897400      -1.241100     -3.0000001E-04
 C  -0.5520000      0.5013000      1.9999999E-04
 C  -0.5930000     -0.8290000       0.000000    
 C   0.7110000       1.239200      9.9999997E-05
 C    1.802200      -1.051100       0.000000    
 C   -2.736600     -8.3700001E-02 -1.9999999E-04
 C    3.151700       1.012400     -1.4000000E-03
 H   0.4066000      -2.610600      9.9999997E-05
 H   -2.052600       1.996000      3.9999999E-04
 H   -2.200100      -2.207100     -5.0000002E-04
 H    3.092800       2.103100     -8.9999996E-03
 H    3.702600      0.6718000     -0.8838000    
 H    3.697200      0.6838000      0.8889000    


%chk=000069726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069726

0 1
O 0.819820 2.518879 -0.000664
O 2.870185 -1.749702 0.000024
O -4.039389 -0.050279 0.000295
N 1.849792 0.374833 -0.000568
N 0.540379 -1.634857 -0.000181
N -1.869959 1.001016 -0.000126
N -1.939491 -1.235847 0.000095
C -0.542318 0.528734 -0.000281
C -0.602656 -0.859328 -0.000112
C 0.698408 1.255764 -0.000591
C 1.828547 -1.038302 -0.000236
C -2.785433 -0.063575 0.000129
C 3.196662 0.994178 -0.000557
H 0.534930 -2.655791 0.000129
H -2.144229 1.981518 -0.000213
H -2.338713 -2.172733 0.000259
H 3.052603 2.084790 -0.006768
H 3.760818 0.673617 -0.891552
H 3.756544 0.684084 0.896920


