%chk=000027714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027714

0 1
 O   1.5699999E-02   2.105900     -0.1671000    
 O    4.928900       1.256500     -0.3566000    
 O    5.188000      -1.476500      8.0100000E-02
 N   -2.307600      0.8255000      0.2086000    
 C   -3.495800      1.5300000E-02  0.4075000    
 C   -4.781700      0.8313000      0.3529000    
 C   -3.708300      -1.002800     -0.7063000    
 C   -5.865900     -0.2196000      0.1291000    
 C   -5.173900      -1.401900     -0.5548000    
 C   -1.101200      8.2999999E-03  0.2569000    
 C   0.1087000      0.8958000      2.8000001E-02
 C    1.463300      0.2674000      4.1499998E-02
 C    2.562900       1.067800     -0.1658000    
 C    1.558000      -1.087600      0.2603000    
 C    3.827900      0.4805000     -0.1533000    
 C    2.823000      -1.675000      0.2728000    
 C    3.958000     -0.8909000      6.6100001E-02
 H   -3.446700     -0.4981000       1.377900    
 H   -4.769300       1.530300     -0.4933000    
 H   -4.952000       1.412500       1.264600    
 H   -3.055000      -1.877400     -0.6269000    
 H   -3.552700     -0.5503000      -1.694100    
 H   -6.687100      0.1777000     -0.4759000    
 H   -6.289100     -0.5417000       1.087600    
 H   -5.264100      -2.296700      7.1999997E-02
 H   -5.626100      -1.633000      -1.524500    
 H   -2.263500       1.544300      0.9308000    
 H   -1.014700     -0.4682000       1.239300    
 H   -1.110900     -0.7382000     -0.5429000    
 H    2.477200       2.136700     -0.3378000    
 H   0.7054000      -1.735800      0.4254000    
 H    2.910600      -2.744600      0.4446000    
 H    5.716600      0.6868000     -0.3149000    
 H    5.083400      -2.429200      0.2455000    


%chk=000027714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027714

0 1
O -0.054824 2.008257 0.179444
O 5.005439 1.449435 0.228296
O 5.502774 -1.196601 0.067025
N -2.314061 0.576767 -0.198470
C -3.552196 -0.041271 0.290051
C -4.751562 0.941168 0.223395
C -4.044850 -1.241771 -0.559838
C -6.030205 0.045174 0.146527
C -5.518059 -1.412748 -0.113675
C -1.082209 -0.179549 -0.023928
C 0.131263 0.758157 0.069823
C 1.507684 0.175168 0.057282
C 2.611256 1.068333 0.144863
C 1.741948 -1.224245 -0.028420
C 3.922045 0.573695 0.144853
C 3.059676 -1.727698 -0.026051
C 4.142258 -0.831001 0.058443
H -3.441061 -0.402049 1.348248
H -4.642276 1.547451 -0.696026
H -4.771041 1.635275 1.083115
H -3.443633 -2.158729 -0.415422
H -3.981207 -0.953414 -1.627157
H -6.691598 0.383946 -0.671069
H -6.621129 0.096834 1.078677
H -5.561911 -2.002964 0.821795
H -6.127122 -1.947367 -0.864054
H -2.184095 1.564592 0.059561
H -1.081746 -0.795057 0.915757
H -0.923594 -0.897825 -0.855783
H 2.427886 2.144417 0.212058
H 0.906969 -1.927518 -0.094364
H 3.240241 -2.807725 -0.091282
H 5.850295 0.927067 0.212167
H 5.630646 -2.173104 0.001459


