%chk=000042028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042028

0 1
 O   -2.913800       2.532500     -1.1000000E-03
 C   0.4629000     -0.3142000     -9.9999997E-05
 C    1.839000      5.0299998E-02   0.000000    
 C  -0.5560000      0.6755000       0.000000    
 C   0.1215000      -1.683900     -9.9999997E-05
 C   -1.936300      0.2712000       0.000000    
 C    2.213200       1.411300       0.000000    
 C    2.846400     -0.9451000       0.000000    
 C   -2.250400      -1.110600     -1.9999999E-04
 C   -1.224300      -2.061100     -3.0000001E-04
 C  -0.1337000       2.024700      1.9999999E-04
 C    1.130600      -2.656400       0.000000    
 C    1.216100       2.386000      1.9999999E-04
 C    2.475800      -2.292700       0.000000    
 C   -3.031800       1.172100      3.9999999E-04
 C    3.571700       1.761900      9.9999997E-05
 C    4.197300     -0.5677000       0.000000    
 C   -3.589300      -1.539700     -9.9999997E-05
 C    4.556600      0.7777000      9.9999997E-05
 C   -4.358300      0.7327000      6.0000003E-04
 C   -4.637200     -0.6246000      3.0000001E-04
 H   -1.478800      -3.121600     -3.9999999E-04
 H  -0.8127000       2.865700      5.0000002E-04
 H   0.8791000      -3.715400      9.9999997E-05
 H    1.474100       3.443300      3.0000001E-04
 H    3.230100      -3.076700       0.000000    
 H    3.874600       2.806800      9.9999997E-05
 H    4.983300      -1.319900       0.000000    
 H   -3.829600      -2.601500     -1.9999999E-04
 H    5.605600       1.059400      9.9999997E-05
 H   -5.188300       1.434900      6.0000003E-04
 H   -5.665600     -0.9727000      3.9999999E-04
 H   -3.789000       2.955300     -6.9999998E-04


%chk=000042028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042028

0 1
O -2.873448 2.586659 -0.000280
C 0.465320 -0.308588 -0.000019
C 1.859941 0.056954 0.000022
C -0.564727 0.702885 0.000006
C 0.113386 -1.720594 -0.000059
C -1.968218 0.298204 -0.000022
C 2.247100 1.446437 0.000065
C 2.889070 -0.960286 0.000002
C -2.289303 -1.124660 -0.000059
C -1.237532 -2.088733 -0.000096
C -0.136789 2.084820 0.000081
C 1.167267 -2.719131 -0.000058
C 1.205048 2.436978 0.000115
C 2.496943 -2.357065 -0.000035
C -3.100878 1.195638 0.000040
C 3.630995 1.794050 0.000092
C 4.252819 -0.573109 0.000021
C -3.650858 -1.579551 0.000011
C 4.620027 0.794424 0.000070
C -4.424414 0.725783 0.000163
C -4.704498 -0.668167 0.000149
H -1.505568 -3.152757 -0.000131
H -0.898340 2.862879 0.000121
H 0.877655 -3.776774 -0.000067
H 1.486629 3.497166 0.000169
H 3.283845 -3.120903 -0.000043
H 3.913439 2.853694 0.000118
H 5.026686 -1.350338 0.000006
H -3.843782 -2.657872 -0.000035
H 5.679771 1.073193 0.000083
H -5.251896 1.449399 0.000208
H -5.744270 -1.011795 0.000240
H -3.738617 3.068661 -0.000074


