%chk=000134184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134184

0 1
 O    2.477500      0.2922000      -1.370800    
 O    1.358400     -0.7994000      0.3188000    
 O    4.023400      -2.607500     -0.7186000    
 O   -6.679800     -0.3550000       1.153000    
 O   -5.046000      0.8681000       2.153700    
 N   -1.236400     -0.5002000      -1.129000    
 N   -2.919200       1.016800      0.4371000    
 C   0.3103000       1.300000      -1.214700    
 C    1.245100      0.5000000      -2.066800    
 C  -0.8965000      0.7520000     -0.7848000    
 C   -1.751100       1.522400      1.0500000E-02
 C   0.6806000       2.598000     -0.8678000    
 C    1.542900       1.176300      -3.406200    
 C   -3.259000     -0.2354000      9.2900001E-02
 C   -2.404500      -1.005800     -0.7024000    
 C   -1.375000       2.819400      0.3539000    
 C  -0.1666000       3.361900     -7.9300001E-02
 C   -4.465900     -0.7834000      0.5227000    
 C   -2.780500      -2.302800      -1.045600    
 C    3.723800     -0.5209000      0.4294000    
 C    2.382900     -0.3723000     -0.1905000    
 C    4.184700      0.4588000       1.288300    
 C   -4.836200      -2.081400      0.1759000    
 C   -3.988900      -2.845300     -0.6125000    
 C    4.476700      -1.640300      0.1283000    
 C    5.445200      0.3139000       1.867700    
 C   -5.380500     -8.2000000E-03   1.353400    
 C    3.376000       1.671100       1.618300    
 C    5.737200      -1.785000      0.7077000    
 C    6.221500     -0.8080000       1.577500    
 H   0.8405000     -0.4900000      -2.310000    
 H    1.625200       3.025100      -1.191700    
 H    2.101500       2.110200      -3.281600    
 H   0.6238000       1.388500      -3.961900    
 H    2.176800      0.5254000      -4.019100    
 H   -2.031200       3.427900      0.9730000    
 H   0.1094000       4.373400      0.2016000    
 H   -2.123300      -2.911900      -1.663000    
 H   -5.767000      -2.526900      0.5158000    
 H   -4.261600      -3.859400     -0.8883000    
 H    5.838400       1.066200       2.546400    
 H    3.821600       2.244000       2.439100    
 H    3.316000       2.332600      0.7486000    
 H    2.365900       1.394800       1.938100    
 H    6.353100      -2.653700      0.4907000    
 H    7.203100     -0.9206000       2.028300    
 H    4.698000      -3.303800     -0.7965000    
 H   -7.289000      0.1704000       1.714500    


%chk=000134184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134184

0 1
O 2.575691 -0.027763 -0.994502
O 2.272737 -1.215177 0.991132
O 5.032095 -1.301553 -1.671279
O -7.503168 0.454760 0.347172
O -5.889930 1.531023 1.623047
N -1.637828 -0.737926 -0.947305
N -3.366499 1.292470 0.158939
C 0.253064 0.782137 -0.797907
C 1.152905 -0.303929 -1.374227
C -1.150036 0.494892 -0.604951
C -2.034916 1.527522 -0.061722
C 0.725230 2.054005 -0.478774
C 1.131615 -0.352472 -2.908681
C -3.843223 0.046163 -0.138742
C -2.968838 -0.974211 -0.724232
C -1.500227 2.823273 0.246057
C -0.147794 3.073138 0.039307
C -5.240663 -0.281061 0.075950
C -3.507110 -2.252829 -1.093128
C 4.469948 -0.280331 0.446826
C 3.021727 -0.584456 0.207649
C 4.866668 0.327000 1.676419
C -5.721621 -1.532876 -0.325462
C -4.859046 -2.519649 -0.905394
C 5.457087 -0.632921 -0.512836
C 6.239869 0.599924 1.893114
C -6.165781 0.668878 0.763399
C 3.845845 0.692955 2.739410
C 6.825867 -0.360318 -0.279830
C 7.209894 0.262628 0.923988
H 0.859611 -1.279274 -0.949266
H 1.788521 2.273746 -0.620437
H 1.445290 0.614513 -3.338233
H 0.109118 -0.583884 -3.252946
H 1.817330 -1.138691 -3.266837
H -2.186111 3.575037 0.646916
H 0.269282 4.057970 0.275946
H -2.818370 -2.988033 -1.520468
H -6.781132 -1.758358 -0.176505
H -5.275823 -3.490936 -1.190212
H 6.546584 1.078818 2.828866
H 4.326412 1.231935 3.572704
H 3.041376 1.334043 2.333017
H 3.350491 -0.209680 3.137558
H 7.579032 -0.638567 -1.028193
H 8.267755 0.478926 1.108211
H 5.805701 -1.513978 -2.250609
H -8.087331 1.075318 0.861153


