%chk=000004783.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004783

0 1
 I  -0.8010000      -2.773500      -1.929000    
 O   -1.760900       1.823800      0.4983000    
 O  -0.7773000       1.089100      -1.492700    
 C    3.484100       1.795100      0.5195000    
 C    4.482300      0.8184000     -0.1115000    
 C    2.196100       1.957200     -0.2918000    
 C    3.971400     -0.6124000     -0.3144000    
 C    1.233200       2.937400      0.3871000    
 C    3.607500      -1.318000      0.9972000    
 C  -4.8900001E-02   3.152800     -0.4167000    
 C    3.096800      -2.743500      0.7761000    
 C  -0.8788000       1.896600     -0.5796000    
 C    1.894900      -2.768100     -6.9499999E-02
 C   -2.599100      0.7038000      0.4812000    
 C   -2.196400     -0.4787000       1.102100    
 C   -3.837600      0.7693000     -0.1574000    
 C   0.9087000      -2.776200     -0.7537000    
 C   -3.031800      -1.595500       1.084300    
 C   -4.673000     -0.3476000     -0.1751000    
 C   -4.270100      -1.530000      0.4458000    
 H    3.973600       2.772900      0.6110000    
 H    3.244700       1.477200       1.540500    
 H    5.384200      0.7901000      0.5125000    
 H    4.794500       1.214700      -1.085900    
 H    1.701700      0.9863000     -0.3928000    
 H    2.437300       2.310800      -1.301100    
 H    4.762100      -1.187800     -0.8128000    
 H    3.125000     -0.6000000      -1.007900    
 H   0.9783000       2.562100       1.385800    
 H    1.731000       3.905000      0.5216000    
 H    4.486300      -1.350300       1.652200    
 H    2.833800     -0.7482000       1.524900    
 H  -0.6653000       3.926600      5.6400001E-02
 H   0.1838000       3.528800      -1.420100    
 H    2.871600      -3.198500       1.747400    
 H    3.884900      -3.349900      0.3148000    
 H   -1.232500     -0.5357000       1.600400    
 H   -4.156800       1.687500     -0.6427000    
 H   -2.718200      -2.516000       1.567900    
 H   -5.637100     -0.2968000     -0.6725000    
 H   -4.920300      -2.399800      0.4315000    


%chk=000004783-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004783

0 1
I 0.145903 -3.175033 -3.190925
O -1.479261 1.780155 0.032505
O -0.950453 1.264636 -2.203644
C 3.187743 1.829891 0.811876
C 4.321710 0.821944 0.493904
C 2.163929 2.015396 -0.331082
C 3.852838 -0.601990 0.100881
C 1.137638 3.128857 -0.023312
C 2.999343 -1.303912 1.179752
C 0.024941 3.258009 -1.100146
C 2.639926 -2.773833 0.814829
C -0.823917 2.003462 -1.209106
C 1.851135 -2.899023 -0.425871
C -2.279213 0.617804 0.276568
C -1.892737 -0.676288 -0.134933
C -3.441934 0.833876 1.045147
C 1.194531 -2.995132 -1.468642
C -2.706415 -1.771767 0.232572
C -4.242292 -0.272191 1.406655
C -3.878260 -1.577608 1.000137
H 3.646469 2.812231 1.048939
H 2.648738 1.516650 1.729291
H 4.991834 0.751819 1.375738
H 4.937720 1.228236 -0.334492
H 1.629463 1.060752 -0.509000
H 2.696832 2.250905 -1.275746
H 4.748788 -1.223054 -0.106991
H 3.280399 -0.565040 -0.846002
H 0.661346 2.938696 0.957206
H 1.660540 4.102575 0.054771
H 3.550871 -1.316028 2.141736
H 2.062343 -0.741283 1.353377
H -0.636717 4.105965 -0.841654
H 0.462699 3.445640 -2.095508
H 2.075486 -3.233083 1.650644
H 3.575767 -3.359053 0.705484
H -0.991857 -0.830454 -0.732682
H -3.700111 1.852511 1.350433
H -2.415919 -2.779160 -0.085113
H -5.146435 -0.112635 2.004203
H -4.500714 -2.434441 1.279500


