%chk=000055832.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055832

0 1
 I   2.3399999E-02  -1.992000       1.319800    
 I    2.648500       3.271400     -0.2512000    
 I   -3.294800       2.755100     -0.5560000    
 O    2.266300      0.2240000      0.7491000    
 O   -2.497800     -0.1895000      0.5058000    
 O   -4.643600      -2.382700      -1.349100    
 O   -4.764000      -1.669000      0.8106000    
 C    4.263300     -0.9762000      0.1971000    
 C    5.047400      -1.683800     -0.9044000    
 C    2.937500     -0.4332000     -0.3169000    
 C    1.037700      0.7631000      0.4678000    
 C    6.389600      -2.186800     -0.3975000    
 C  -0.1145000     -1.2000001E-03  0.6337000    
 C   -1.362000      0.5525000      0.3458000    
 C   0.9507000       2.077600      1.6200000E-02
 C   -1.453100       1.868700     -0.1069000    
 C  -0.2967000       2.631400     -0.2716000    
 C   -2.937100     -0.9457000     -0.6187000    
 C   -4.200800      -1.683700     -0.2737000    
 H    4.077300      -1.663000       1.032300    
 H    4.854700     -0.1510000      0.6134000    
 H    5.216000     -0.9972000      -1.742200    
 H    4.466800      -2.529900      -1.289900    
 H    3.119100      0.2640000      -1.142100    
 H    2.328200      -1.254500     -0.7100000    
 H    7.008000      -1.358800     -3.6499999E-02
 H    6.256800      -2.899800      0.4224000    
 H    6.933700      -2.691400      -1.202000    
 H  -0.3678000       3.658100     -0.6249000    
 H   -3.146800     -0.2850000      -1.465800    
 H   -2.179800      -1.679900     -0.9098000    
 H   -5.469100      -2.874500      -1.151400    


%chk=000055832-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055832

0 1
I -0.009617 -2.021165 1.228124
I 2.690873 3.324785 -0.177702
I -3.412883 2.835221 -0.424222
O 2.293073 0.216651 0.704525
O -2.589350 -0.182058 0.520753
O -4.795560 -2.403251 -1.343298
O -4.847087 -1.762055 0.899295
C 4.341973 -0.970800 0.159182
C 5.183439 -1.726767 -0.896673
C 3.016107 -0.474785 -0.413420
C 1.047942 0.759441 0.383612
C 6.529977 -2.219168 -0.323640
C -0.142993 -0.004646 0.528901
C -1.421761 0.563661 0.285823
C 0.926979 2.120438 -0.007369
C -1.500121 1.925838 -0.104664
C -0.333566 2.706784 -0.244353
C -3.084767 -0.922945 -0.646950
C -4.315990 -1.706360 -0.220346
H 4.133658 -1.632901 1.021298
H 4.911353 -0.104706 0.547112
H 5.372217 -1.064153 -1.765798
H 4.606396 -2.592738 -1.280235
H 3.171784 0.251254 -1.236254
H 2.388112 -1.313379 -0.775411
H 7.140130 -1.370639 0.038149
H 6.369910 -2.904893 0.529230
H 7.119028 -2.759072 -1.087066
H -0.406744 3.758548 -0.528042
H -3.362238 -0.231224 -1.466282
H -2.320195 -1.631498 -1.021871
H -5.602978 -2.926317 -1.089008


