%chk=000128355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128355

0 1
 O   -1.054600      0.9350000     -0.3203000    
 O    6.955200      -1.150700       1.726900    
 O    5.141500      6.4800002E-02   2.358800    
 N    3.743600      0.8627000      9.2900001E-02
 N   -3.991200      0.5033000      0.7026000    
 C   -3.425300      0.8316000     -0.4813000    
 C   -5.611700     -0.8036000     -0.5113000    
 C    2.533800       1.579700     -1.3700000E-02
 C   -2.231700       1.726100     -0.4244000    
 C   -5.069500     -0.3029000      0.6909000    
 C   0.1348000       1.607900     -0.2203000    
 C    4.151300     -0.3972000     -0.3869000    
 C    1.323200      0.8941000     -0.1154000    
 C   -3.883400      0.3918000      -1.706700    
 C   -4.994700     -0.4387000      -1.715500    
 C    2.547900       2.974400     -1.7400000E-02
 C    5.095400      -1.160600      0.3045000    
 C   -6.738300      -1.643100     -0.4864000    
 C   0.1410000       2.998300     -0.2245000    
 C   -5.683000     -0.6656000       1.886900    
 C    1.351700       3.683700     -0.1228000    
 C    3.599700     -0.8876000      -1.573100    
 C   -7.331600      -1.989900      0.7240000    
 C   -6.803100      -1.500300       1.912000    
 C    5.485300      -2.406300     -0.1874000    
 C    3.989500      -2.133300      -2.064900    
 C    4.932300      -2.892600      -1.372200    
 C    5.691900     -0.6810000       1.544900    
 H   -2.209900       2.349100      -1.328200    
 H   -2.343900       2.367700      0.4598000    
 H    1.284200     -0.1917000     -9.2100002E-02
 H    4.472300       1.371500      0.5851000    
 H   -3.401800      0.6741000      -2.636400    
 H   -5.376800     -0.8007000      -2.667300    
 H    3.484800       3.520000      6.0199998E-02
 H   -7.160000      -2.031700      -1.410700    
 H  -0.7468000       3.615200     -0.3050000    
 H   -5.288100     -0.2953000       2.831300    
 H    1.364000       4.769900     -0.1264000    
 H    2.881200     -0.3101000      -2.148500    
 H   -8.201900      -2.638800      0.7394000    
 H   -7.259700      -1.765700       2.861100    
 H    6.207300      -3.028600      0.3348000    
 H    3.562700      -2.510100      -2.989800    
 H    5.234300      -3.863300      -1.754500    
 H    7.349200     -0.8242000       2.563900    


%chk=000128355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128355

0 1
O -0.998030 0.769916 0.165609
O 7.613128 -1.108776 0.815884
O 6.275850 0.715593 1.287243
N 3.869125 0.825354 0.133829
N -4.643160 0.967670 0.281158
C -3.404885 0.440904 0.192878
C -5.572493 -1.313456 -0.041444
C 2.618162 1.488990 0.220720
C -2.283059 1.454950 0.335001
C -5.730007 0.112570 0.168012
C 0.169926 1.545544 0.277705
C 4.221850 -0.313672 -0.583546
C 1.374210 0.818921 0.132101
C -3.150727 -0.954823 -0.011936
C -4.236459 -1.823813 -0.128095
C 2.638817 2.889094 0.489120
C 5.508655 -0.937442 -0.344352
C -6.738878 -2.137836 -0.150606
C 0.179639 2.938704 0.532495
C -7.048258 0.663622 0.261183
C 1.430266 3.590047 0.646201
C 3.386024 -0.880270 -1.596959
C -8.013500 -1.574435 -0.056248
C -8.167659 -0.165111 0.151057
C 5.879102 -2.102573 -1.076154
C 3.785465 -2.021876 -2.306629
C 5.029702 -2.656373 -2.043276
C 6.441666 -0.363869 0.630795
H -2.404727 2.247686 -0.430437
H -2.339166 1.930292 1.335555
H 1.312343 -0.263972 0.002924
H 4.642631 1.206891 0.709694
H -2.117086 -1.300331 -0.071614
H -4.078282 -2.897386 -0.284953
H 3.599227 3.410553 0.560420
H -6.616955 -3.216378 -0.308705
H -0.745344 3.509249 0.645808
H -7.139875 1.742634 0.419415
H 1.454800 4.666167 0.849421
H 2.442077 -0.392849 -1.849546
H -8.903227 -2.208000 -0.140036
H -9.174195 0.261498 0.223132
H 6.854133 -2.550078 -0.865173
H 3.125046 -2.419802 -3.085733
H 5.326583 -3.551347 -2.598077
H 8.178647 -0.635079 1.482757


