%chk=000050547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050547

0 1
 O  -0.1063000      0.5298000      0.6406000    
 C   0.9606000      -2.095300      0.2798000    
 C    1.780700     -0.8569000      0.1290000    
 C    1.218400      0.4018000      0.3148000    
 C    1.464800      -2.998200       1.420900    
 C   0.8719000      -2.903900      -1.027600    
 C    3.131000     -0.9692000     -0.2021000    
 C    1.991800       1.549600      0.1729000    
 C    3.342000       1.437100     -0.1583000    
 C    3.911600      0.1776000     -0.3459000    
 C  -0.9208000       1.263500     -0.2656000    
 C   -2.324500      0.7659000     -0.1841000    
 C    4.177100       2.663000     -0.3124000    
 C   -2.744500     -0.2751000      -1.012100    
 C   -3.217100       1.341100      0.7205000    
 C   -4.057200     -0.7407000     -0.9359000    
 C   -4.529700      0.8753000      0.7967000    
 C   -4.949800     -0.1655000     -3.1500001E-02
 H  -7.1699999E-02  -1.831900      0.5406000    
 H    2.463300      -3.399400       1.217000    
 H   0.7885000      -3.847900       1.565000    
 H    1.512000      -2.442700       2.364200    
 H   0.4921000      -2.280400      -1.844700    
 H   0.1895000      -3.752500     -0.9082000    
 H    1.846000      -3.301000      -1.332500    
 H    3.597300      -1.939000     -0.3526000    
 H    1.552800       2.531600      0.3295000    
 H    4.962900      7.6899998E-02 -0.6024000    
 H  -0.5545000       1.168100      -1.297100    
 H  -0.8803000       2.328700     -6.0999999E-03
 H    4.599600       2.953700      0.6546000    
 H    4.998500       2.497400      -1.017800    
 H    3.583900       3.497200     -0.7022000    
 H   -2.057400     -0.7337000      -1.718300    
 H   -2.901600       2.151100       1.372800    
 H   -4.384000      -1.551800      -1.579900    
 H   -5.224700       1.322600       1.501400    
 H   -5.971600     -0.5283000      2.8300000E-02


%chk=000050547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050547

0 1
O -0.162560 0.008839 0.019420
C 1.216997 -2.405272 0.245326
C 1.969257 -1.074773 0.155998
C 1.241852 0.147696 0.025909
C 2.029164 -3.534292 0.918934
C 0.737086 -2.849585 -1.167323
C 3.377029 -0.979195 0.168080
C 1.898384 1.393543 -0.082296
C 3.316300 1.464945 -0.071539
C 4.047333 0.263059 0.054054
C -0.974926 1.222202 -0.070024
C -2.445337 0.837820 -0.056722
C 4.015006 2.809833 -0.186661
C -2.867723 -0.510336 -0.127446
C -3.419370 1.866166 0.012489
C -4.246710 -0.824350 -0.130175
C -4.795733 1.552286 0.007134
C -5.214877 0.202794 -0.064298
H 0.310047 -2.224492 0.855405
H 2.890292 -3.846717 0.298213
H 1.389211 -4.424619 1.060012
H 2.412002 -3.226030 1.908926
H 0.111565 -2.070400 -1.636181
H 0.142449 -3.780431 -1.100888
H 1.603580 -3.041803 -1.827388
H 3.969839 -1.893646 0.274983
H 1.326021 2.322637 -0.174531
H 5.142873 0.294050 0.067557
H -0.728384 1.765201 -1.008218
H -0.742348 1.894070 0.783437
H 3.757150 3.472971 0.661094
H 5.111924 2.690897 -0.197076
H 3.724747 3.338814 -1.114135
H -2.113631 -1.300387 -0.174645
H -3.103327 2.916020 0.072412
H -4.563559 -1.872175 -0.183587
H -5.538333 2.356272 0.061641
H -6.282692 -0.043011 -0.066592


