%chk=000042978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042978

0 1
 O   -3.759800     -0.4199000     -0.3235000    
 O   0.2409000      -1.533000      0.1099000    
 C   0.7753000      0.7605000      0.5862000    
 C    2.173900      0.2636000      0.8066000    
 C    3.160500      0.1699000     -0.1051000    
 C  -0.1796000     -0.3828000      0.2434000    
 C   -1.613500     -8.4200002E-02  7.0400000E-02
 C    4.525400     -0.3237000      0.2923000    
 C    3.019600      0.5138000      -1.560900    
 C   -2.235800       1.152500      0.1831000    
 C   -2.542600      -1.017300     -0.2340000    
 C   -3.564300      0.9005000     -6.8300001E-02
 H   0.7371000       1.509800     -0.2106000    
 H   0.4300000       1.242600       1.508100    
 H    2.390400     -3.2600001E-02   1.832200    
 H    5.281100      0.4386000      7.5900003E-02
 H    4.589300     -0.5604000       1.359600    
 H    4.777700      -1.231800     -0.2649000    
 H    1.996500      0.7691000      -1.847600    
 H    3.660900       1.365300      -1.810600    
 H    3.321300     -0.3383000      -2.179500    
 H   -1.808300       2.117600      0.4137000    
 H   -2.531600      -2.082700     -0.4138000    
 H   -4.449300       1.519100     -0.1022000    


%chk=000042978-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042978

0 1
O -4.058879 -0.119263 0.448577
O -0.156025 -1.679585 1.292118
C 0.735660 0.176620 -0.051244
C 2.124556 -0.350247 0.244368
C 3.292549 0.182372 -0.210573
C -0.385724 -0.650577 0.591391
C -1.775667 -0.185667 0.353108
C 4.632247 -0.434465 0.155231
C 3.368259 1.410317 -1.102635
C -2.241892 0.961406 -0.417878
C -2.915929 -0.805539 0.856546
C -3.618336 0.970889 -0.338387
H 0.536554 0.210958 -1.144505
H 0.614499 1.225622 0.295836
H 2.147501 -1.241707 0.884804
H 5.273020 0.293685 0.692006
H 4.509916 -1.322979 0.797885
H 5.191980 -0.739120 -0.751713
H 2.376463 1.828174 -1.344099
H 3.965678 2.209475 -0.620040
H 3.878182 1.170363 -2.057016
H -1.628626 1.679999 -0.957805
H -3.067243 -1.682524 1.478063
H -4.403643 1.607993 -0.733637


