%chk=000133547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133547

0 1
 O    2.252900      -1.061000       1.763200    
 O  -0.3812000     -0.4892000      -2.000600    
 O    3.274200       2.195600      -1.388500    
 O   -4.944200     -0.5269000      0.1919000    
 N    2.725000      0.7078000      0.3252000    
 N    1.415800      0.8890000      -1.635400    
 C   0.5058000     -0.3627000      0.2508000    
 C  -0.3495000      0.6887000      0.9807000    
 C  -0.1048000      -1.754000      0.4826000    
 C    1.908800     -0.3059000      0.8523000    
 C   0.4646000     -3.3399999E-02  -1.232400    
 C  -0.3043000      0.4554000       2.485300    
 C    2.520900       1.339800     -0.9167000    
 C   0.7000000      -2.806200     -0.2049000    
 C   -1.733900      0.6412000      0.4878000    
 C    3.958900       1.021300       1.036100    
 C   -2.867100      0.6097000      9.0599999E-02
 C   0.2056000      -3.626200      -1.138900    
 C   -4.251400      0.5707000     -0.3957000    
 C   -4.996100       1.846100     -3.3500001E-02
 H   4.3400001E-02   1.696600      0.7897000    
 H   -1.144200      -1.816000      0.1390000    
 H  -0.1161000      -2.031600       1.542200    
 H   0.6988000      0.5542000       2.908500    
 H  -0.9105000       1.222000       2.986800    
 H  -0.7328000     -0.5006000       2.799400    
 H    1.330500       1.236300      -2.586600    
 H    1.737400      -2.947300      8.5400000E-02
 H    4.765300      0.4248000      0.5982000    
 H    3.871300      0.7809000       2.099400    
 H    4.204200       2.081500      0.9249000    
 H   0.8347000      -4.384400      -1.592400    
 H  -0.8253000      -3.558300      -1.468400    
 H   -4.269700      0.4364000      -1.482600    
 H   -5.041800       1.983400       1.053500    
 H   -6.031600       1.798500     -0.3878000    
 H   -4.517500       2.728700     -0.4707000    
 H   -4.502100      -1.343200     -9.8600000E-02


%chk=000133547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133547

0 1
O 2.299822 -0.941051 1.817583
O -0.795477 -0.226699 -1.757148
O 3.310393 1.894819 -1.744101
O -3.790916 -0.191461 -1.475945
N 2.785872 0.564588 0.126796
N 1.227346 0.867989 -1.652848
C 0.409165 -0.258714 0.407249
C -0.279064 0.962364 1.249273
C -0.272755 -1.621157 0.732033
C 1.888899 -0.278093 0.828596
C 0.216592 0.084561 -1.077199
C -0.203273 0.765997 2.786026
C 2.496719 1.169182 -1.119395
C 0.380423 -2.800295 0.034853
C -1.663326 1.124460 0.780505
C 4.161005 0.706383 0.666403
C -2.777641 1.146814 0.249945
C -0.204597 -3.531568 -0.945756
C -3.978871 0.988345 -0.601895
C -5.282061 0.758856 0.179282
H 0.296721 1.876041 0.989492
H -1.334956 -1.542440 0.445576
H -0.212247 -1.773189 1.824179
H 0.828530 0.583338 3.127887
H -0.580850 1.680546 3.275566
H -0.836497 -0.073609 3.115196
H 1.065755 1.213120 -2.605082
H 1.386340 -3.069771 0.389138
H 4.690068 -0.259262 0.613496
H 4.111128 1.018988 1.721010
H 4.685730 1.459234 0.061872
H 0.304975 -4.388146 -1.401937
H -1.206927 -3.290736 -1.319734
H -4.085254 1.897528 -1.233724
H -5.189678 -0.132840 0.820754
H -6.105019 0.592952 -0.536397
H -5.522283 1.634758 0.807016
H -2.829791 -0.250132 -1.738763


