%chk=000093476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093476

0 1
 O    1.250100      0.7904000     -0.3249000    
 O    2.922700      0.7508000       1.120200    
 O    3.125500       2.019700     -0.7020000    
 N    2.546600       1.233800      5.1500000E-02
 C  -0.5110000     -0.8679000     -0.2131000    
 C   0.9417000     -0.5201000      0.1442000    
 C   -1.545500      0.1486000      0.2865000    
 C   -2.955900     -0.2307000     -0.1750000    
 C    1.958900      -1.509000     -0.4335000    
 C   -4.036300      0.7336000      0.3192000    
 C    1.738200      -2.924800      8.6000003E-02
 C   -5.434900      0.3757000     -0.1591000    
 H  -0.7737000      -1.853000      0.1878000    
 H  -0.5959000     -0.9295000      -1.305900    
 H   0.9906000     -0.5339000       1.242000    
 H   -1.303400       1.149600     -8.8699996E-02
 H   -1.512800      0.1951000       1.381400    
 H   -3.193100      -1.242300      0.1775000    
 H   -2.980300     -0.2639000      -1.271300    
 H    2.994600      -1.237400     -0.2100000    
 H    1.892100      -1.507900      -1.529000    
 H   -4.030700      0.7535000       1.415600    
 H   -3.797500       1.749300     -1.7899999E-02
 H   0.8045000      -3.354400     -0.2877000    
 H    2.550900      -3.575700     -0.2535000    
 H    1.724200      -2.947400       1.180100    
 H   -6.164100       1.096400      0.2238000    
 H   -5.723500     -0.6206000      0.1905000    
 H   -5.487500      0.3848000      -1.252400    


%chk=000093476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093476

0 1
O 1.281227 0.693187 -0.591922
O 2.879458 0.909154 1.163797
O 2.655936 2.537319 -0.435413
N 2.380277 1.440862 0.120180
C -0.500632 -0.892904 -0.424307
C 0.952737 -0.650287 0.020934
C -1.524823 0.071015 0.213660
C -2.970745 -0.199021 -0.258374
C 1.970742 -1.699255 -0.468191
C -4.004108 0.756840 0.380318
C 1.848576 -3.040261 0.290319
C -5.447383 0.489923 -0.098076
H -0.758083 -1.937828 -0.159918
H -0.551503 -0.823643 -1.529095
H 1.015430 -0.536231 1.120716
H -1.244698 1.113765 -0.031197
H -1.477225 -0.019951 1.319129
H -3.249973 -1.248104 -0.023566
H -3.020780 -0.103643 -1.363244
H 2.991087 -1.298351 -0.323197
H 1.831770 -1.856289 -1.554887
H -3.955397 0.661271 1.484340
H -3.722912 1.803796 0.146534
H 0.863522 -3.516709 0.136387
H 2.618682 -3.750586 -0.058803
H 1.993268 -2.897246 1.377385
H -6.165036 1.186435 0.372917
H -5.764362 -0.540705 0.150674
H -5.530551 0.610249 -1.194800


