%chk=000106866.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106866

0 1
 O   -2.844700      -1.943700     -0.7475000    
 C    1.050400     -0.6125000      0.1290000    
 C   0.5442000      0.3207000       1.263800    
 C   -1.164900      0.3342000     -0.6935000    
 C   5.6000002E-02 -0.5474000      -1.064300    
 C   -1.839300     -0.2171000      0.5897000    
 C  -0.8142000     -0.2419000       1.752400    
 C    2.475400     -0.2774000     -0.3129000    
 C  -0.6106000       1.706400     -0.3355000    
 C   0.2723000       1.693400      0.6798000    
 C   -2.435200      -1.571500      0.3471000    
 C    3.427500     -0.3130000      0.8795000    
 C    2.938700      -1.242100      -1.401200    
 C   -1.055500       2.911800      -1.086300    
 H    1.045700      -1.643700      0.5117000    
 H    1.222900      0.3806000       2.117500    
 H   -1.867400      0.3892000      -1.532200    
 H  -0.2565000      -1.560700      -1.340600    
 H   0.5191000     -0.1126000      -1.958400    
 H   -2.676900      0.4298000      0.8843000    
 H  -0.6774000      -1.251800       2.157800    
 H   -1.192300      0.3757000       2.578000    
 H    2.512800      0.7338000     -0.7381000    
 H   0.7619000       2.580200       1.060300    
 H   -2.593500      -2.200900       1.239500    
 H    3.322900      -1.240600       1.452500    
 H    4.468600     -0.2484000      0.5430000    
 H    3.271900      0.5343000       1.553600    
 H    2.879900      -2.281700      -1.060400    
 H    3.982100      -1.042700      -1.671000    
 H    2.356400      -1.154900      -2.322200    
 H  -0.8097000       2.810200      -2.148000    
 H  -0.5729000       3.821500     -0.7145000    
 H   -2.137900       3.041400     -0.9903000    


%chk=000106866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106866

0 1
O -2.787176 -2.084919 -0.777920
C 1.063722 -0.631194 0.114663
C 0.517006 0.283611 1.271563
C -1.171343 0.363587 -0.691645
C 0.037571 -0.553209 -1.070063
C -1.881734 -0.218937 0.570724
C -0.842627 -0.329623 1.744747
C 2.514328 -0.287992 -0.342759
C -0.623081 1.738020 -0.309010
C 0.263806 1.681750 0.726419
C -2.603827 -1.536161 0.336239
C 3.513748 -0.189620 0.835197
C 3.019212 -1.338192 -1.364889
C -1.048899 2.976582 -1.057806
H 1.087567 -1.670405 0.512209
H 1.217671 0.291785 2.123898
H -1.882570 0.412531 -1.535746
H -0.334804 -1.552108 -1.356356
H 0.524755 -0.122156 -1.964826
H -2.678537 0.491257 0.885825
H -0.678909 -1.387058 2.036220
H -1.205678 0.206063 2.639252
H 2.477515 0.700766 -0.847620
H 0.772820 2.563272 1.133049
H -2.999644 -2.014793 1.272548
H 3.499105 -1.114447 1.445196
H 4.544758 -0.054590 0.458110
H 3.290754 0.663383 1.500717
H 3.112779 -2.332443 -0.885384
H 4.014431 -1.059233 -1.758560
H 2.333665 -1.443997 -2.224697
H -0.805568 2.895118 -2.136029
H -0.555896 3.883237 -0.664244
H -2.145121 3.128716 -0.996422


