%chk=000034271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034271

0 1
 O    5.234000      -1.609400      0.3832000    
 O   -6.005100      0.7854000      0.3655000    
 O   -5.847500      -1.312100     -0.2628000    
 N    4.488700      0.5674000     -0.1311000    
 N   -5.320000     -0.2152000      4.2399999E-02
 C   0.3177000      0.2344000     -5.2099999E-02
 C   -1.124500      0.1191000     -2.6000001E-02
 C   0.9140000       1.461100     -0.3437000    
 C    1.111500     -0.8815000      0.2131000    
 C    3.098200      0.4561000     -0.1050000    
 C   -1.905400       1.217700      0.3324000    
 C   -1.733300      -1.090300     -0.3609000    
 C    2.304200       1.572000     -0.3702000    
 C    2.501800     -0.7707000      0.1868000    
 C   -3.904900     -0.1025000      2.1299999E-02
 C   -3.295600       1.106900      0.3562000    
 C   -3.123600      -1.201100     -0.3373000    
 C    5.441300     -0.4323000      0.1066000    
 C    6.848600      9.5100001E-02 -1.8400000E-02
 H   0.3375000       2.349400     -0.5870000    
 H   0.6911000      -1.848700      0.4752000    
 H   -1.474600       2.169800      0.6302000    
 H   -1.167700      -1.962700     -0.6762000    
 H    2.756000       2.532400     -0.6056000    
 H    3.050000      -1.675400      0.4097000    
 H   -3.872600       1.981300      0.6464000    
 H   -3.564200      -2.156500     -0.6111000    
 H    4.846000       1.494800     -0.3512000    
 H    7.018400      0.4567000      -1.036500    
 H    7.564200     -0.7025000      0.1997000    
 H    7.002900      0.9131000      0.6909000    


%chk=000034271-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034271

0 1
O 5.342520 -1.607342 0.368687
O -6.149024 0.871126 0.349773
O -6.011226 -1.319440 -0.277748
N 4.575633 0.558696 -0.120067
N -5.472509 -0.184076 0.029047
C 0.306803 0.204138 -0.042741
C -1.174725 0.103794 -0.022812
C 0.958427 1.437417 -0.328009
C 1.130704 -0.925233 0.222006
C 3.166313 0.391518 -0.081902
C -1.982845 1.224578 0.331494
C -1.833628 -1.116096 -0.357809
C 2.358713 1.531385 -0.351004
C 2.534985 -0.848798 0.209561
C -3.998642 -0.086179 0.012122
C -3.384826 1.140577 0.350690
C -3.234413 -1.220534 -0.342336
C 5.580225 -0.396828 0.095438
C 6.995777 0.163048 -0.039251
H 0.365423 2.325460 -0.571295
H 0.668072 -1.884047 0.480382
H -1.504894 2.163333 0.629033
H -1.241523 -1.983179 -0.666726
H 2.832015 2.492755 -0.589112
H 3.150502 -1.722902 0.426925
H -4.009660 1.992766 0.630137
H -3.745601 -2.149635 -0.607278
H 4.898548 1.505561 -0.335287
H 7.181129 0.541778 -1.061619
H 7.712384 -0.642980 0.172242
H 7.172442 0.991140 0.671958


