%chk=000049508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049508

0 1
 O    3.324400     -1.9999999E-04  0.2494000    
 O    1.962800       2.394200     -3.7999999E-02
 O    1.962300      -2.395000     -3.8199998E-02
 O   -2.937500      1.9999999E-04  0.2986000    
 O   -4.908300      1.9999999E-04 -0.8914000    
 N   -4.901900      6.0000003E-04   1.407900    
 C  -0.7391000     -9.9999997E-05 -0.6089000    
 C    1.990800     -1.9999999E-04 -3.4299999E-02
 C    1.308300       1.207700     -0.1779000    
 C    1.308300      -1.208100     -0.1780000    
 C  -5.6699999E-02   1.207900     -0.4651000    
 C  -5.6699999E-02  -1.208200     -0.4653000    
 C   -2.198300       0.000000     -0.9167000    
 C    4.221600      1.5000000E-03 -0.8585000    
 C    2.010700       2.957600       1.271400    
 C    2.009700      -2.958500       1.271200    
 C   -4.300400      3.0000001E-04  0.1737000    
 H  -0.5842000       2.152400     -0.5743000    
 H  -0.5842000      -2.152700     -0.5748000    
 H   -2.459600      0.8851000      -1.510400    
 H   -2.459700     -0.8853000      -1.510100    
 H    4.079600      0.8995000      -1.468100    
 H    4.079400     -0.8943000      -1.471000    
 H    5.244000      7.9999998E-04 -0.4709000    
 H    2.521200       2.280900       1.963900    
 H    1.000300       3.173700       1.632800    
 H    2.572000       3.894600       1.220800    
 H   0.9992000      -3.174100       1.632500    
 H    2.520300      -2.282000       1.963900    
 H    2.570500      -3.895700       1.220700    
 H   -4.354800      6.9999998E-04   2.262300    
 H   -5.911900      6.9999998E-04   1.503600    


%chk=000049508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049508

0 1
O 3.230044 -0.002386 0.419526
O 1.796534 2.473324 0.038361
O 1.794043 -2.477285 0.040073
O -3.172358 0.000489 0.236505
O -5.113104 0.001174 -1.109376
N -5.213689 0.002259 1.238796
C -0.901129 -0.000935 -0.617928
C 1.844231 -0.001866 0.119210
C 1.145585 1.226703 -0.048901
C 1.144633 -1.230013 -0.047945
C -0.215587 1.221192 -0.422282
C -0.216640 -1.223450 -0.421173
C -2.354913 -0.000514 -1.021458
C 4.075782 0.005091 -0.800048
C 2.466979 2.773223 1.324613
C 2.466326 -2.776598 1.325483
C -4.565297 0.001144 0.021645
H -0.720448 2.183181 -0.556803
H -0.722351 -2.185104 -0.554901
H -2.627408 0.894804 -1.607471
H -2.628169 -0.896213 -1.606534
H 3.877058 0.915327 -1.395168
H 3.878970 -0.899129 -1.404871
H 5.116957 0.004235 -0.442292
H 3.233546 2.014202 1.555401
H 1.718479 2.819360 2.138788
H 2.927473 3.762991 1.184052
H 1.719166 -2.820863 2.141008
H 3.234293 -2.018350 1.554033
H 2.925247 -3.767135 1.185199
H -4.682750 0.002299 2.106059
H -6.229406 0.003044 1.249198


