%chk=000112046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112046

0 1
 O   0.2131000      0.7559000      -2.154000    
 C  -0.3983000     -0.8752000     -0.4112000    
 C   0.4414000      -1.272800      0.8483000    
 C   0.4950000      0.1320000      -1.145700    
 C    1.748000     -0.5635000      0.6654000    
 C    1.776400      0.2438000     -0.4638000    
 C   -1.687800     -0.2303000     -1.3400000E-02
 C  -0.6699000      -2.075000      -1.315500    
 C    2.859200     -0.6294000       1.491100    
 C    2.876200       1.003200     -0.8188000    
 C   -1.723600       1.133800      0.2658000    
 C   -2.847700     -0.9964000      7.5700000E-02
 C    3.988300      0.1256000       1.156900    
 C    3.995900      0.9364000      9.7000003E-03
 C   -2.926300       1.735400      0.6365000    
 C   -4.050300     -0.3947000      0.4463000    
 C   -4.089500      0.9712000      0.7267000    
 H   0.6080000      -2.354800      0.8963000    
 H  -2.6600000E-02 -0.9494000       1.785500    
 H   0.2649000      -2.421700      -1.775200    
 H   -1.075200      -2.937300     -0.7748000    
 H   -1.342500      -1.827800      -2.146200    
 H    2.859000      -1.250300       2.380900    
 H    2.878100       1.628000      -1.704600    
 H  -0.8371000       1.759800      0.2328000    
 H   -2.870000      -2.065100     -0.1053000    
 H    4.869300      8.6599998E-02   1.791900    
 H    4.882600       1.516200     -0.2319000    
 H   -2.956100       2.797600      0.8611000    
 H   -4.955500     -0.9901000      0.5229000    
 H   -5.025400       1.439000       1.018100    


%chk=000112046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112046

0 1
O 0.156270 -0.035648 -2.499667
C -0.395730 -1.193414 -0.337934
C 0.548105 -1.425443 0.895462
C 0.465733 -0.302074 -1.310620
C 1.740270 -0.500247 0.685763
C 1.687028 0.127708 -0.583582
C -1.647118 -0.366557 0.039424
C -0.736970 -2.515430 -1.063972
C 2.828294 -0.244803 1.546514
C 2.703135 1.005552 -1.026056
C -1.529881 0.734635 0.932382
C -2.920578 -0.634518 -0.523381
C 3.845436 0.641152 1.116096
C 3.787426 1.262387 -0.161343
C -2.648640 1.527691 1.263949
C -4.043922 0.156772 -0.190554
C -3.915516 1.240805 0.705102
H 0.886750 -2.479203 0.920952
H 0.034324 -1.235358 1.853978
H 0.184583 -3.095106 -1.252860
H -1.419260 -3.138870 -0.458488
H -1.203810 -2.314146 -2.043514
H 2.891150 -0.721370 2.531469
H 2.632326 1.468200 -2.016176
H -0.555365 0.984176 1.368376
H -3.048210 -1.462754 -1.226195
H 4.694370 0.851715 1.776815
H 4.589416 1.942095 -0.468973
H -2.531288 2.371592 1.953388
H -5.018665 -0.074056 -0.635393
H -4.786061 1.855215 0.960537


