%chk=000005955.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005955

0 1
 O   -2.388200       2.264400     -7.9999998E-04
 O    3.497600      0.4709000      3.0000001E-04
 O    2.570700      -1.519000      1.9999999E-04
 N   -1.277500       1.629800      9.9999997E-05
 N    2.488100     -0.2697000       0.000000    
 C   2.0500001E-02 -0.4289000      9.9999997E-05
 C   -1.228800      0.2346000      6.0000003E-04
 C    1.195800      0.3323000     -1.9999999E-04
 C   4.0199999E-02  -1.832400     -1.0000000E-03
 C   -2.420600     -0.5026000      1.0000000E-03
 C    1.135000       1.721400       0.000000    
 C  -0.1012000       2.354100     -1.9999999E-04
 C   -1.152700      -2.558900     -7.9999998E-04
 C   -2.378900      -1.896000      5.0000002E-04
 H   0.8804000      -2.504400     -2.6000000E-03
 H   -3.391700     -1.5000000E-02  1.5000000E-03
 H    2.020800       2.350500       0.000000    
 H  -0.2254000       3.427600     -6.0000003E-04
 H   -1.128700      -3.645400     -1.6000000E-03
 H   -3.303400      -2.466400      6.9999998E-04


%chk=000005955-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005955

0 1
O -2.457646 2.239994 0.000328
O 3.592674 0.629046 -0.000492
O 2.794422 -1.501433 -0.000866
N -1.284998 1.625790 0.000269
N 2.610024 -0.218593 -0.000337
C 0.044179 -0.497784 -0.000190
C -1.227210 0.192627 0.000080
C 1.238496 0.320601 -0.000180
C -0.006679 -1.931445 -0.000463
C -2.464163 -0.501261 0.000156
C 1.131411 1.720694 -0.000019
C -0.114888 2.355010 0.000175
C -1.231601 -2.608105 -0.000411
C -2.467048 -1.899092 -0.000074
H 0.932503 -2.482988 -0.000724
H -3.382379 0.091109 0.000381
H 2.041861 2.323431 -0.000037
H -0.247375 3.437019 0.000252
H -1.233727 -3.703090 -0.000658
H -3.415856 -2.444630 0.000010


