%chk=000049886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049886

0 1
 O   -4.941600       1.056300      0.8090000    
 C   0.9164000     -0.5298000      -1.496300    
 C  -0.4363000     -0.3885000     -0.8842000    
 C    2.054100     -0.1645000     -0.5640000    
 C   -1.014700      -1.467200     -0.2154000    
 C   -1.122500      0.8221000     -0.9796000    
 C    2.613500      -1.146700      0.2332000    
 C    2.505700       1.142300     -0.5322000    
 C   -2.279500      -1.335400      0.3581000    
 C   -2.387200      0.9539000     -0.4061000    
 C   -2.965600     -0.1249000      0.2628000    
 C    3.660300     -0.8105000       1.091600    
 C    3.552600       1.478500      0.3261000    
 C    4.129900      0.5020000       1.138000    
 C   -4.285100      1.2600000E-02  0.8589000    
 H   0.9808000      8.1500001E-02  -2.407500    
 H    1.057700      -1.557500      -1.859500    
 H  -0.4917000      -2.416400     -0.1339000    
 H  -0.6841000       1.670400      -1.498400    
 H    2.255300      -2.171600      0.2037000    
 H    2.063400       1.909500      -1.160700    
 H   -2.717100      -2.185200      0.8757000    
 H   -2.903500       1.906300     -0.4931000    
 H    4.109900      -1.570800       1.723700    
 H    3.918400       2.500500      0.3623000    
 H    4.945000      0.7639000       1.806300    
 H   -4.690700     -0.8751000       1.373600    


%chk=000049886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049886

0 1
O -5.023923 1.091735 0.908944
C 0.940883 -0.571345 -1.574610
C -0.442124 -0.415523 -0.941999
C 2.075589 -0.189000 -0.618237
C -1.051041 -1.497100 -0.253312
C -1.134876 0.825312 -1.011961
C 2.667339 -1.160650 0.228401
C 2.541851 1.148312 -0.545087
C -2.313696 -1.343842 0.352545
C -2.394698 0.985728 -0.409892
C -2.996523 -0.101375 0.280546
C 3.695577 -0.805380 1.130059
C 3.569314 1.508469 0.355404
C 4.149252 0.532132 1.198010
C -4.326545 0.040989 0.919482
H 0.998639 0.061845 -2.479173
H 1.075861 -1.619257 -1.899968
H -0.531260 -2.460854 -0.197341
H -0.675922 1.665151 -1.547377
H 2.324940 -2.202039 0.178539
H 2.101645 1.911706 -1.198974
H -2.779072 -2.185868 0.881009
H -2.937997 1.935937 -0.459313
H 4.144075 -1.569697 1.774784
H 3.918871 2.546223 0.397462
H 4.947370 0.809101 1.895654
H -4.700127 -0.885010 1.428504


