%chk=000100130.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100130

0 1
 O   -1.189900      -1.324900      -1.802400    
 O    3.455100      -2.465600     -0.1339000    
 O    1.960500      -2.542000       1.572100    
 O    3.014900       3.106200       1.020600    
 O   -1.591600       2.411100      0.1721000    
 O    2.993600       2.675100      -1.206800    
 O   -3.544600       2.079300       1.283700    
 N   7.2400004E-02  -1.264600      0.1465000    
 N   -2.726000      -2.492200      0.6902000    
 C    1.377100      -1.349000     -0.4695000    
 C   -2.339400      -1.130100      0.3178000    
 C    1.952000      2.6300000E-02 -0.8296000    
 C   -3.514900     -0.4494000     -0.3994000    
 C   -1.110900      -1.259600     -0.5773000    
 C    2.203800      0.9749000      0.3494000    
 C   -3.214900      0.9826000     -0.8421000    
 C    2.266100      -2.161800      0.4491000    
 C    2.759300       2.322000     -5.9400000E-02
 C   -2.822500       1.861800      0.3190000    
 H    1.261200      -1.932400      -1.391800    
 H   -2.083900     -0.5748000       1.227200    
 H    1.270900      0.5213000      -1.534900    
 H    2.897200     -0.1119000      -1.370700    
 H   -3.810200      -1.027800      -1.284600    
 H   -4.385200     -0.4369000      0.2704000    
 H   2.9100001E-02  -1.186600       1.158800    
 H    2.920700      0.5175000       1.040200    
 H    1.264900       1.154900      0.8847000    
 H   -2.420900       1.000300      -1.596400    
 H   -4.097700       1.429200      -1.313300    
 H   -3.549500      -2.462100       1.290300    
 H   -1.985400      -2.916500       1.248000    
 H    4.023600      -3.005700      0.4555000    
 H    3.391900       3.973900      0.7611000    
 H   -1.354100       2.986700      0.9300000    


%chk=000100130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100130

0 1
O -1.285926 -1.958248 -1.577913
O 3.340552 -2.358024 -0.304924
O 2.056139 -2.386922 1.633207
O 1.500447 3.346288 0.219018
O -0.955511 2.541624 -0.630901
O 3.743152 2.755185 0.228546
O -1.448254 1.400629 1.327320
N -0.082347 -1.171356 0.259945
N -3.311622 -2.609814 0.570461
C 1.221187 -1.219253 -0.394827
C -2.542584 -1.355460 0.471910
C 1.810935 0.203933 -0.665582
C -3.463145 -0.248860 -0.122386
C -1.260221 -1.526921 -0.381847
C 2.031899 1.012264 0.649271
C -2.753949 0.970285 -0.746794
C 2.200400 -2.048880 0.439227
C 2.558988 2.398877 0.359616
C -1.693227 1.634511 0.114231
H 1.070037 -1.718374 -1.370666
H -2.253173 -1.046814 1.492014
H 1.100227 0.736719 -1.322056
H 2.767937 0.092746 -1.205386
H -4.074945 -0.711484 -0.919727
H -4.155798 0.059736 0.679525
H -0.129559 -0.867634 1.235047
H 2.781013 0.504912 1.281747
H 1.084885 1.096136 1.210565
H -2.266206 0.688831 -1.698640
H -3.500666 1.743331 -1.014652
H -3.538003 -2.996629 -0.354699
H -2.878085 -3.316335 1.175323
H 3.981422 -2.875538 0.254489
H 1.878129 4.242889 0.011712
H -0.161427 2.916851 -0.127573


