%chk=000047802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047802

0 1
 O    4.766100      0.1142000     -0.3083000    
 O    2.968800       1.035400      -1.333000    
 C   0.5161000     -0.1273000      0.2110000    
 C  -0.9061000     -0.4568000      0.6882000    
 C    1.423500      -1.353400     -2.2200000E-02
 C    1.495500      0.2886000       1.328400    
 C    2.574600     -0.5196000      0.5782000    
 C   -1.615200      0.8302000       1.132900    
 C   -1.610900      -1.276300     -0.4012000    
 C   -2.313900       1.615100      2.3399999E-02
 C   -3.127600      -1.370000     -0.2603000    
 C   -3.740800       1.133300     -0.2340000    
 C   -3.855300     -0.2125000     -0.9412000    
 C    3.425400      0.2989000     -0.4619000    
 H   0.5138000      0.5673000     -0.6400000    
 H  -0.8343000      -1.096000       1.579900    
 H    1.541900      -1.658100      -1.066000    
 H    1.176400      -2.239400      0.5751000    
 H    1.267400     -0.1114000       2.323800    
 H    1.676800       1.363500       1.418300    
 H    3.215300      -1.102000       1.252000    
 H  -0.8945000       1.496600       1.622600    
 H   -2.349000      0.5793000       1.910100    
 H   -1.205700      -2.296600     -0.3680000    
 H   -1.354300     -0.8971000      -1.398900    
 H   -1.726700       1.615100     -0.9014000    
 H   -2.379800       2.661800      0.3476000    
 H   -3.425500      -1.460300      0.7904000    
 H   -3.452900      -2.294000     -0.7555000    
 H   -4.251600       1.882900     -0.8517000    
 H   -4.293600       1.094400      0.7130000    
 H   -4.920400     -0.4673000      -1.010400    
 H   -3.500400     -0.1109000      -1.974400    
 H    5.282200      0.6307000     -0.9634000    


%chk=000047802-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047802

0 1
O 4.934147 -0.059120 -0.068755
O 3.252238 0.948493 -1.308505
C 0.511494 -0.113506 0.174203
C -0.905963 -0.461979 0.670847
C 1.498192 -1.292039 -0.146405
C 1.556568 0.432254 1.208979
C 2.659103 -0.517118 0.592532
C -1.660154 0.815661 1.149711
C -1.653058 -1.278389 -0.423101
C -2.400274 1.627706 0.052587
C -3.189565 -1.406897 -0.255086
C -3.848299 1.134639 -0.201125
C -3.979154 -0.239103 -0.902168
C 3.582180 0.200115 -0.358547
H 0.450132 0.570221 -0.693423
H -0.788916 -1.119921 1.561737
H 1.668190 -1.534252 -1.207510
H 1.238265 -2.215580 0.401943
H 1.317776 0.130760 2.244796
H 1.775405 1.511711 1.184791
H 3.254395 -1.099947 1.309721
H -0.927948 1.469605 1.665183
H -2.405119 0.534708 1.921435
H -1.197497 -2.288281 -0.461200
H -1.451326 -0.821960 -1.414939
H -1.823001 1.620213 -0.894245
H -2.452184 2.688051 0.370617
H -3.453271 -1.497309 0.818798
H -3.522806 -2.348918 -0.734882
H -4.388272 1.887454 -0.811117
H -4.372295 1.094401 0.777114
H -5.054923 -0.506419 -0.944408
H -3.641961 -0.142196 -1.955530
H 5.503199 0.435243 -0.720947


