%chk=000057803.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057803

0 1
 O   0.8069000       1.116700      0.5235000    
 O   -1.638800     -0.3049000      0.9626000    
 O   -2.246200      0.1129000      -1.242800    
 O   -4.500200       1.360900     -0.4047000    
 N   -3.586100      0.8100000      0.5017000    
 C    2.122300       1.444500     -1.0400000E-02
 C    2.910300      0.1324000     -0.2337000    
 C    1.805200     -0.8493000     -0.1545000    
 C   0.6556000     -0.2265000      0.3012000    
 C    1.914000       2.208600      -1.324100    
 C    2.823100       2.343500       1.009400    
 C    1.819200      -2.207000     -0.4186000    
 C  -0.5187000     -0.9234000      0.5119000    
 C   0.6407000      -2.931100     -0.2212000    
 C  -0.5213000      -2.293000      0.2421000    
 C   -2.486000      0.2058000     -4.2300001E-02
 H    3.631500     -5.8600001E-02  0.5684000    
 H    3.427100      0.1088000      -1.197800    
 H    2.867800       2.515800      -1.765000    
 H    1.375700       1.595700      -2.056100    
 H    1.301400       3.102600      -1.160400    
 H    3.824100       2.630400      0.6715000    
 H    2.241400       3.254300       1.191500    
 H    2.913100       1.837400       1.977400    
 H    2.719500      -2.702800     -0.7651000    
 H   0.6232000      -3.998800     -0.4225000    
 H   -1.425100      -2.878000      0.3920000    
 H   -3.764400      0.9412000       1.490400    
 H   -4.760300       2.164400      7.6700002E-02


%chk=000057803-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057803

0 1
O 0.654018 0.996478 0.485912
O -1.814666 -0.616098 0.758423
O -2.039767 0.744651 -1.192873
O -4.347916 1.827532 0.111785
N -3.309871 1.070310 0.766528
C 2.025120 1.469694 -0.031569
C 2.877421 0.156960 -0.121625
C 1.830617 -0.947897 -0.132405
C 0.591731 -0.375348 0.237438
C 1.764864 2.086324 -1.416572
C 2.538258 2.485140 0.991891
C 1.928682 -2.327621 -0.378650
C -0.567628 -1.165950 0.341505
C 0.764752 -3.131397 -0.256739
C -0.475810 -2.551906 0.098286
C -2.368159 0.437438 -0.032789
H 3.544403 0.059502 0.756943
H 3.510168 0.158641 -1.026772
H 2.703194 2.490994 -1.839537
H 1.360682 1.329275 -2.111008
H 1.029269 2.904543 -1.339462
H 3.531132 2.864322 0.687927
H 1.847883 3.342964 1.067458
H 2.628909 2.022698 1.989784
H 2.886127 -2.780110 -0.658758
H 0.819962 -4.207928 -0.446848
H -1.382352 -3.159318 0.182427
H -3.638833 0.633749 1.630174
H -3.917191 2.694859 -0.119772


