%chk=000107688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107688

0 1
 O  -6.9999998E-04  -1.336000      3.0000001E-04
 O    7.228800       2.423600     -0.4331000    
 O   -7.231100       2.421800      0.4369000    
 N    2.358000      -1.283700      0.1638000    
 N   -2.344500      -1.293700     -0.1652000    
 N    6.265300       1.688400     -0.6767000    
 N   -6.268200       1.685600      0.6792000    
 C    1.176400      -2.134600      7.8699999E-02
 C   -1.177800      -2.134200     -8.2599998E-02
 C    2.851600     -0.8619000       1.401200    
 C    2.984300     -0.8053000     -0.9900000    
 C   -2.850500     -0.8560000      -1.402700    
 C   -2.987800     -0.8094000      0.9883000    
 C    4.577000      0.4323000      0.3277000    
 C   -4.578000      0.4337000     -0.3272000    
 C    3.911100     -4.4700000E-02   1.543200    
 C    4.050800      1.4800000E-02 -0.9752000    
 C   -3.909700     -3.8199998E-02  -1.543400    
 C   -4.054200      1.0900000E-02  0.9749000    
 C    5.644300       1.242400      0.4060000    
 C   -5.645100       1.244200     -0.4042000    
 H    1.238900      -2.781400     -0.8060000    
 H    1.115400      -2.790600      0.9566000    
 H   -1.236900      -2.785800      0.7989000    
 H   -1.111500      -2.788800     -0.9613000    
 H    2.309700      -1.245600       2.258200    
 H    2.540600      -1.147200      -1.918300    
 H   -2.307900      -1.235500      -2.261300    
 H   -2.546900      -1.154600       1.916900    
 H    4.263200      0.2589000       2.522200    
 H    4.484500      0.3461000      -1.911200    
 H   -4.260100      0.2694000      -2.521700    
 H   -4.489800      0.3381000       1.911500    
 H    6.018500       1.544600       1.382800    
 H   -6.017500       1.550400      -1.380400    


%chk=000107688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107688

0 1
O 0.000125 -1.458290 -0.003578
O 7.224179 2.591287 -0.671050
O -7.221677 2.590288 0.683289
N 2.358980 -1.392084 0.225172
N -2.358929 -1.392052 -0.230317
N 6.243976 1.732948 -0.812472
N -6.240861 1.732089 0.821304
C 1.218444 -2.281907 0.166672
C -1.218037 -2.281669 -0.175570
C 2.726159 -0.790899 1.434752
C 3.034789 -1.021495 -0.950070
C -2.730279 -0.790585 -1.438471
C -3.030807 -1.021875 0.947311
C 4.504251 0.503476 0.313442
C -4.504767 0.503211 -0.310798
C 3.758649 0.118167 1.499726
C 4.071916 -0.120351 -0.930314
C -3.763127 0.118338 -1.499697
C -4.068126 -0.120886 0.931320
C 5.569986 1.418456 0.370074
C -5.570838 1.418022 -0.363585
H 1.335347 -2.976951 -0.689966
H 1.147607 -2.865062 1.107783
H -1.333891 -2.979655 0.678867
H -1.147951 -2.861725 -1.118631
H 2.142184 -1.085142 2.310172
H 2.681702 -1.496141 -1.868912
H -2.149263 -1.084523 -2.315967
H -2.674461 -1.496689 1.864803
H 4.015473 0.554568 2.469228
H 4.594151 0.146097 -1.852005
H -4.023298 0.554959 -2.468207
H -4.587269 0.145237 1.854850
H 5.880068 1.884550 1.319628
H -5.884204 1.884287 -1.311984


