%chk=000050256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050256

0 1
 O    4.376000     -0.3532000     -0.4736000    
 C   -2.581400      0.2528000      0.5314000    
 C   -1.866700       1.471100     -0.1661000    
 C   -1.618700     -0.9700000      0.4205000    
 C  -0.4155000       1.050500     -9.3900003E-02
 C  -0.2867000     -0.3073000      0.2213000    
 C   -1.972800      -1.921800     -0.7173000    
 C   -2.921500      0.4847000       2.013700    
 C   -2.118000       2.825300      0.5145000    
 C   -2.296600       1.587000      -1.640500    
 C   0.7136000       1.826600     -0.3275000    
 C   0.9628000     -0.9054000      0.3165000    
 C  -0.9097000      -3.009800     -0.8613000    
 C   -3.349200      -2.545700     -0.4907000    
 C    1.973600       1.232100     -0.2309000    
 C    2.097600     -0.1259000      9.0200000E-02
 C    3.184000       2.077100     -0.4685000    
 C    3.408100     -0.7511000      0.2024000    
 C    3.621000      -1.916900       1.159700    
 H   -3.541100      7.5000003E-02  3.6800001E-02
 H   -1.597500      -1.525600       1.367800    
 H   -2.010900      -1.390800      -1.674400    
 H   -2.029600      0.7167000       2.605300    
 H   -3.640800       1.300900       2.133000    
 H   -3.383800     -0.4115000       2.442900    
 H   -1.636000       3.644400     -3.2499999E-02
 H   -3.189300       3.051300      0.5548000    
 H   -1.719500       2.855600       1.534500    
 H   -2.077600      0.6843000      -2.216800    
 H   -3.372100       1.781800      -1.718600    
 H   -1.773700       2.410800      -2.141500    
 H   0.6121000       2.876100     -0.5862000    
 H    1.047500      -1.949500      0.5948000    
 H  -0.6603000      -3.471400      9.9900000E-02
 H   -1.276300      -3.812600      -1.512700    
 H  -1.8000000E-03  -2.640700      -1.345500    
 H   -3.405600      -3.037100      0.4868000    
 H   -3.559100      -3.303700      -1.253900    
 H   -4.158400      -1.814100     -0.5519000    
 H    3.656800       1.822500      -1.422300    
 H    2.919100       3.139900     -0.5207000    
 H    3.902700       1.986800      0.3527000    
 H    3.390800      -2.856500      0.6516000    
 H    3.002800      -1.803600       2.054400    
 H    4.666300      -1.925300       1.483500    


%chk=000050256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050256

0 1
O 4.618717 -0.032924 0.297316
C -2.612802 0.292392 0.503987
C -1.867036 1.493609 -0.224001
C -1.633207 -0.946384 0.425736
C -0.398060 1.085794 -0.095390
C -0.268722 -0.283657 0.244258
C -2.040511 -2.003820 -0.662803
C -2.982630 0.576751 1.977607
C -2.156370 2.887832 0.384902
C -2.257114 1.537147 -1.734816
C 0.747178 1.881589 -0.286126
C 1.014731 -0.825102 0.422454
C -0.953338 -3.076078 -0.905346
C -3.366728 -2.695511 -0.258981
C 2.054809 1.352020 -0.133494
C 2.189107 -0.034950 0.234846
C 3.233862 2.280189 -0.355370
C 3.531180 -0.675014 0.432877
C 3.597774 -2.159957 0.808666
H -3.548157 0.075646 -0.047670
H -1.654723 -1.491049 1.394365
H -2.205449 -1.467545 -1.619978
H -2.080306 0.766996 2.589447
H -3.654110 1.447427 2.081020
H -3.501135 -0.298599 2.412111
H -1.617409 3.673051 -0.177595
H -3.235101 3.124754 0.328991
H -1.841303 2.954252 1.440257
H -2.067659 0.571049 -2.234056
H -3.330665 1.780899 -1.846266
H -1.672511 2.310350 -2.267122
H 0.641932 2.941689 -0.547162
H 1.118267 -1.870832 0.725166
H -0.706489 -3.608210 0.034734
H -1.313112 -3.830044 -1.630057
H -0.024544 -2.636675 -1.307315
H -3.228686 -3.280375 0.671512
H -3.700979 -3.393980 -1.048206
H -4.182308 -1.971064 -0.084144
H 3.903811 1.906029 -1.148919
H 2.877829 3.289197 -0.629206
H 3.870279 2.352807 0.543586
H 3.111896 -2.794912 0.045020
H 3.096952 -2.355613 1.775028
H 4.657439 -2.445376 0.891838


