%chk=000084786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084786

0 1
 O   -2.814100       2.263700      9.9999997E-05
 O    3.592100     -0.6692000     -2.7999999E-03
 O   -4.071400      0.3700000       0.000000    
 N    1.922700      0.9958000      3.0000001E-04
 N  -0.3938000      -3.260500      5.0000002E-04
 C   0.7312000      0.2699000     -5.0000002E-04
 C   -1.684100      0.2130000     -3.0000001E-04
 C  -0.4928000      0.9387000     -6.9999998E-04
 C   0.7640000      -1.124600      3.9999999E-04
 C  -0.4272000      -1.850300      7.9999998E-04
 C   -1.651300      -1.181500      3.9999999E-04
 C    3.235100      0.5045000      6.9999998E-04
 C   -2.960400      0.9102000     -5.0000002E-04
 C    4.249800       1.620300      1.5000000E-03
 H  -0.4877000       2.026000     -1.0000000E-03
 H    1.679600      -1.700100      1.0000000E-03
 H   -2.576000      -1.754500      5.0000002E-04
 H    1.815300       2.008000      6.9999998E-04
 H   -1.257300      -3.786900      2.4000001E-03
 H   0.4929000      -3.747000      2.3000001E-03
 H    4.138100       2.221500     -0.9051000    
 H    5.260100       1.202700      2.9200001E-02
 H    4.104200       2.253900      0.8810000    
 H   -3.680200       2.724300      5.0000002E-04


%chk=000084786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084786

0 1
O -2.860668 2.315991 0.001476
O 3.628358 -0.672413 0.003946
O -4.118762 0.367950 -0.000896
N 1.963704 0.986177 0.003581
N -0.452143 -3.305497 -0.001038
C 0.763188 0.217221 0.002159
C -1.676541 0.214706 0.000475
C -0.460469 0.935191 0.001804
C 0.768929 -1.196820 0.001236
C -0.462642 -1.912836 -0.000110
C -1.690701 -1.198600 -0.000497
C 3.290140 0.548076 0.003514
C -2.988106 0.913925 0.000043
C 4.312409 1.685763 -0.000866
H -0.482366 2.029156 0.002535
H 1.726138 -1.723663 0.001759
H -2.655044 -1.717924 -0.001519
H 1.825076 1.999590 0.003985
H -1.320028 -3.832764 -0.001901
H 0.425181 -3.817393 -0.000602
H 4.224387 2.299373 -0.916664
H 5.320747 1.249817 0.035056
H 4.181055 2.351044 0.872581
H -3.773042 2.711832 0.001345


