%chk=000045471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045471

0 1
 O   -3.531300      -1.867300     -0.5115000    
 O    5.159800     -0.8250000      2.0500001E-02
 O   -1.496000       2.522000      0.5614000    
 N  -0.8293000      0.6720000     -0.2130000    
 N  -0.8685000       1.982700     -0.3579000    
 C   0.3809000      8.8600002E-02 -0.7800000    
 C    1.545700      0.2269000      0.1987000    
 C   -2.013100     -1.8600000E-02 -0.7506000    
 C    2.827200     -0.3708000     -0.3800000    
 C   -2.396000      -1.241800      8.6000003E-02
 C    3.985700     -0.2763000      0.6042000    
 C   -2.765100     -0.8924000       1.522100    
 H   0.2487000     -0.9869000     -0.9608000    
 H   0.6324000      0.5285000      -1.755700    
 H    1.299100     -0.2795000       1.140800    
 H    1.724600       1.282700      0.4376000    
 H   -2.890000      0.6480000     -0.7580000    
 H   -1.880500     -0.2945000      -1.806900    
 H    3.098600      0.1410000      -1.311700    
 H    2.667000      -1.421900     -0.6507000    
 H   -1.586700      -1.980100      9.4099998E-02
 H    4.193700      0.7667000      0.8623000    
 H    3.769900     -0.8223000       1.528200    
 H   -3.105700      -1.786800       2.055300    
 H   -3.594600     -0.1772000       1.550600    
 H   -1.917500     -0.4691000       2.068900    
 H   -3.280800      -2.128300      -1.414200    
 H    4.974200      -1.755800     -0.1912000    


%chk=000045471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045471

0 1
O -3.159767 -2.102754 0.271041
O 5.082747 -1.010828 0.366855
O -2.536951 2.312012 -0.342112
N -0.909589 0.796453 -0.759418
N -1.284011 2.127185 -0.554893
C 0.518485 0.614852 -1.078425
C 1.317546 -0.180318 -0.020517
C -1.898220 -0.298754 -0.824925
C 2.824162 -0.212197 -0.366196
C -2.092278 -1.106630 0.494616
C 3.641376 -1.024893 0.656102
C -2.554630 -0.250573 1.674424
H 0.610296 0.115391 -2.064898
H 0.935172 1.633655 -1.173619
H 0.935144 -1.218475 0.049054
H 1.169369 0.287373 0.972236
H -2.873663 0.157783 -1.081207
H -1.590245 -0.983964 -1.639895
H 3.228491 0.817828 -0.401724
H 2.965246 -0.648478 -1.378728
H -1.145409 -1.628967 0.753204
H 3.562647 -0.574003 1.659903
H 3.257429 -2.067575 0.712986
H -2.712842 -0.891683 2.557978
H -3.500911 0.258420 1.428668
H -1.802274 0.517961 1.921877
H -2.873257 -2.748862 -0.424556
H 5.238338 -1.425462 -0.519334


