%chk=000000558.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000558

0 1
 O   -2.583400      -1.453900     -0.5373000    
 O   -4.360100      0.3136000     -0.2333000    
 O   -2.800800       1.784300      0.5854000    
 N    2.188700      2.3600001E-02 -0.3647000    
 N    4.012500       1.376900     -0.8289000    
 N    4.281600     -0.2026000      0.7922000    
 C   0.1888000      -1.329100      2.3300000E-02
 C  -0.7052000     -0.1090000      0.2477000    
 C    1.635800      -1.074600      0.4292000    
 C   -2.146500     -0.3993000     -0.1016000    
 C    3.419300      0.3550000     -0.1254000    
 C   -3.130600      0.7152000      0.1133000    
 H   0.1498000      -1.617600      -1.035000    
 H  -0.1972000      -2.181700      0.5957000    
 H  -0.3723000      0.7291000     -0.3739000    
 H  -0.6624000      0.1905000       1.300800    
 H    2.210400      -1.993200      0.2602000    
 H    1.671400     -0.8329000       1.498600    
 H    3.502600       1.886300      -1.542400    
 H    4.973700       1.650900     -0.6572000    
 H    5.230800      0.1406000      0.8929000    
 H    4.007400     -0.9696000       1.395700    
 H   -5.034800       1.009700     -8.3300002E-02


%chk=000000558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000558

0 1
O -2.365285 -1.269998 -1.126814
O -4.204424 0.718768 -0.718363
O -2.997070 1.422037 1.139421
N 2.105841 0.090204 -0.105412
N 3.840720 1.400074 -0.996020
N 4.404197 -0.200584 0.625113
C 0.212714 -1.444959 0.200864
C -0.720547 -0.236687 0.378696
C 1.646221 -1.090556 0.652437
C -2.064280 -0.384876 -0.289852
C 3.382041 0.396092 -0.130090
C -3.111949 0.679389 0.136947
H 0.230731 -1.738207 -0.863861
H -0.161317 -2.314098 0.775735
H -0.198283 0.643902 -0.063611
H -0.872886 0.033230 1.442032
H 2.302221 -1.980016 0.496463
H 1.635444 -0.881630 1.748590
H 3.128859 1.799979 -1.605054
H 4.608091 2.003570 -0.704166
H 5.367918 -0.175923 0.299541
H 4.162628 -0.862476 1.356619
H -4.852086 1.404967 -0.397214


