%chk=000031684.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031684

0 1
 I    1.393800       2.025400       1.387200    
 I   -1.963200      -2.896400      0.1568000    
 I    3.965400      -3.243300     -0.4014000    
 O   -1.127100      0.1053000       1.003200    
 O   -1.553000       3.046900     -0.9208000    
 O   -1.744300       2.804900       1.324200    
 O    3.992100      0.7592000      -1.588500    
 N    3.667100     -0.1347000      0.5626000    
 C   -1.749700      0.8052000     -7.1199998E-02
 C   -3.143200      0.3095000     -0.2635000    
 C   2.4999999E-03 -0.6055000      0.7001000    
 C    2.402600     -0.7340000      0.4772000    
 C    1.255800     -2.4999999E-03  0.7864000    
 C  -0.1083000      -1.937700      0.3059000    
 C   -3.880600     -0.1405000      0.8317000    
 C   -3.709100      0.2957000      -1.538300    
 C    2.293800      -2.067300      8.2400002E-02
 C    1.038500      -2.669300     -3.3000000E-03
 C   -1.675500       2.303300      0.2097000    
 C    4.364500      0.5524000     -0.4383000    
 C    5.708900       1.045500      7.5599998E-02
 C   -5.183800     -0.6041000      0.6520000    
 C   -5.012300     -0.1680000      -1.717900    
 C   -5.749800     -0.6179000     -0.6228000    
 C    6.515100       1.767900     -0.9889000    
 H   -1.176100      0.6277000     -0.9937000    
 H   -3.471800     -0.1203000       1.838600    
 H   -3.146300      0.6445000      -2.400100    
 H    4.092900     -0.1808000       1.485700    
 H   0.9522000      -3.709200     -0.3113000    
 H    5.529900       1.719600      0.9209000    
 H    6.277400      0.1836000      0.4433000    
 H   -5.759800     -0.9500000       1.505300    
 H   -5.453100     -0.1784000      -2.710500    
 H   -6.764900     -0.9780000     -0.7625000    
 H    6.717900       1.111200      -1.841400    
 H    7.473000       2.102900     -0.5796000    
 H    5.976600       2.645500      -1.361800    
 H   -1.520300       4.007400     -0.7245000    


%chk=000031684-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031684

0 1
I 1.806278 1.928267 1.934870
I -2.285134 -2.582400 2.577039
I 3.041663 -3.731247 -0.182521
O -1.113320 0.407952 2.327563
O -2.681775 3.506268 1.944900
O -3.675428 1.590492 2.809612
O 2.231182 0.980511 -1.381000
N 3.248015 -0.457342 0.159827
C -1.664436 1.429206 1.346805
C -2.140117 0.804931 0.045571
C -0.153030 -0.468036 1.809876
C 2.044045 -0.928360 0.751903
C 1.135614 -0.036237 1.388110
C -0.437195 -1.859999 1.788146
C -3.393375 0.146735 -0.052121
C -1.281242 0.856210 -1.083349
C 1.705190 -2.308835 0.724312
C 0.500472 -2.782448 1.278436
C -2.778657 2.120896 2.127578
C 3.278953 0.466848 -0.900859
C 4.686783 0.821694 -1.384918
C -3.787944 -0.439891 -1.273102
C -1.678671 0.260748 -2.300749
C -2.933748 -0.382867 -2.400106
C 4.728302 1.085996 -2.904071
H -0.876295 2.171455 1.139251
H -4.046146 0.087684 0.825407
H -0.297020 1.335415 -1.015274
H 4.116366 -0.950237 0.383517
H 0.272384 -3.849847 1.276275
H 4.988347 1.739557 -0.839886
H 5.411749 0.033858 -1.102263
H -4.757846 -0.944397 -1.345399
H -1.004915 0.298249 -3.163283
H -3.242909 -0.840494 -3.346763
H 4.526126 0.162947 -3.475628
H 5.718632 1.470392 -3.204678
H 3.960648 1.828132 -3.179078
H -3.443747 3.953894 2.404550


