%chk=000052701.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052701

0 1
 O  -0.3787000       1.106800       1.424000    
 O    1.994300     -0.9479000      -1.093600    
 O    3.961800      -1.691000      0.6003000    
 N   0.6115000       1.398500     -0.6579000    
 N    3.438300     -0.3912000      0.6210000    
 C   -2.653200     -0.8970000      0.1764000    
 C   -2.906200      0.6215000      0.1567000    
 C   -1.788700       1.416100     -0.5196000    
 C   -2.456100      -1.408800      -1.252400    
 C   -3.789000      -1.669200      0.8490000    
 C  -0.4633000       1.289400      0.2126000    
 C    1.988100       1.307300     -0.2280000    
 C    2.441300     -0.1345000     -0.2885000    
 H   -1.738700      -1.108800      0.7431000    
 H   -3.035800      0.9741000       1.187800    
 H   -3.849400      0.8316000     -0.3634000    
 H   -2.053400       2.480800     -0.5026000    
 H   -1.687900       1.141300      -1.574000    
 H   -2.401800      -2.503300      -1.265400    
 H   -3.283800      -1.109100      -1.904300    
 H   -1.520500      -1.046900      -1.688900    
 H   -3.929700      -1.327000       1.879600    
 H   -3.570000      -2.741700      0.8790000    
 H   -4.734300      -1.529500      0.3138000    
 H   0.4398000       1.540600      -1.648900    
 H    2.080100       1.705200      0.7876000    
 H    2.601600       1.902700     -0.9104000    
 H    3.786400      0.2399000       1.333900    
 H    4.091700      -1.841300       1.551900    


%chk=000052701-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052701

0 1
O 0.090568 1.369686 1.285879
O 3.474182 -0.773572 -0.795400
O 2.623292 -1.662114 1.600322
N 0.693004 1.351382 -0.949063
N 2.208538 -0.386296 1.084508
C -2.382304 -0.956465 0.066352
C -2.632757 0.544149 0.375641
C -1.711522 1.533479 -0.380997
C -2.664002 -1.311123 -1.413549
C -3.245431 -1.833656 1.003966
C -0.253814 1.406772 0.054841
C 2.139806 1.335274 -0.656023
C 2.657907 -0.022108 -0.150804
H -1.315481 -1.179003 0.281181
H -2.493109 0.716978 1.459725
H -3.687421 0.791310 0.138273
H -2.028793 2.568228 -0.144106
H -1.808558 1.411778 -1.476396
H -2.488098 -2.386966 -1.596966
H -3.717882 -1.091956 -1.674234
H -2.017319 -0.749641 -2.113633
H -3.021858 -1.624046 2.066213
H -3.063631 -2.909112 0.823580
H -4.323467 -1.640715 0.838155
H 0.389620 1.293715 -1.922183
H 2.351641 2.114179 0.098819
H 2.694039 1.565520 -1.578654
H 1.472624 0.104177 1.619808
H 3.254627 -1.971253 0.873544


