%chk=000054456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054456

0 1
 O    3.022500       1.580100      0.1331000    
 O    3.351100      -1.155800     -0.2065000    
 N   -2.909300      7.4199997E-02  0.6171000    
 C   -1.858000       1.063900      0.3146000    
 C  -0.4709000      0.4625000      0.1831000    
 C   -1.489900      -1.846600      9.4999997E-03
 C  -0.3004000     -0.9224000      2.3000001E-03
 C   -2.804800      -1.109600     -0.2376000    
 C   -2.238400       1.879900     -0.9266000    
 C   0.6609000       1.291600      0.2239000    
 C   0.9909000      -1.454000     -0.1209000    
 C    1.940800      0.7538000      9.0200000E-02
 C    2.105600     -0.6177000     -8.2300000E-02
 H   -1.838300       1.748400       1.172400    
 H   -1.367700      -2.619900     -0.7581000    
 H   -1.526900      -2.346600      0.9858000    
 H   -2.902100     -0.8369000      -1.295000    
 H   -3.637600      -1.786000     -1.4000000E-02
 H   -3.828500      0.4998000      0.5027000    
 H   -1.548100       2.719000      -1.070000    
 H   -2.209600       1.279400      -1.842400    
 H   -3.243800       2.304300     -0.8279000    
 H   0.5354000       2.363200      0.3628000    
 H    1.118900      -2.527200     -0.2435000    
 H    2.718200       2.495400      0.2585000    
 H    3.271100      -2.118800     -0.3168000    


%chk=000054456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054456

0 1
O 3.095010 1.570244 0.117646
O 3.432186 -1.101174 -0.217036
N -2.918262 0.038336 0.588487
C -1.898698 1.083975 0.313208
C -0.510415 0.448628 0.184794
C -1.525215 -1.897249 0.034365
C -0.333731 -0.949062 0.026107
C -2.831622 -1.150502 -0.290303
C -2.242229 1.956897 -0.935545
C 0.633545 1.286462 0.213457
C 0.981229 -1.462774 -0.111735
C 1.938072 0.772652 0.084378
C 2.115514 -0.628602 -0.085860
H -1.884401 1.754904 1.196467
H -1.367872 -2.722188 -0.687972
H -1.624754 -2.352682 1.039438
H -2.852736 -0.901843 -1.379752
H -3.701942 -1.798437 -0.081876
H -3.865246 0.438220 0.620426
H -1.463235 2.716849 -1.127372
H -2.328774 1.328231 -1.840103
H -3.202667 2.485074 -0.781229
H 0.503769 2.369815 0.350936
H 1.119676 -2.546183 -0.239192
H 2.846130 2.520149 0.243183
H 3.427768 -2.085743 -0.320516


