%chk=000072976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072976

0 1
 O    3.028200     -0.7360000      0.8645000    
 O    3.385200       1.555800      0.3407000    
 O    2.625400      -2.844900      2.6300000E-02
 O   0.8907000       3.306000     -0.3366000    
 C    1.224600      -1.008100     -0.6018000    
 C    1.297900      0.4574000     -0.2327000    
 C    1.554500      2.3900000E-02  -1.656000    
 C  -0.1503000      -1.651800     -0.6157000    
 C   -1.033500      -1.059000      0.4909000    
 C   2.2600001E-02   1.148300      7.3500000E-02
 C    2.435200      0.5761000      0.7415000    
 C   -1.077500      0.4561000      0.4303000    
 C    2.351000      -1.658600      0.1153000    
 C   -2.503700      -1.494300      0.4217000    
 C   -3.316400     -0.2336000      6.1700001E-02
 C   -2.487000      0.9157000      0.6634000    
 C  -6.4800002E-02   2.614600     -2.0600000E-02
 C   -4.722300     -0.2911000      0.6890000    
 C   -3.460000     -7.6499999E-02  -1.455300    
 H   0.8099000      0.2517000      -2.411200    
 H    2.567300      5.2499998E-02  -2.042200    
 H  -6.0600001E-02  -2.735500     -0.4758000    
 H  -0.6159000      -1.509300      -1.598900    
 H  -0.6267000      -1.355700       1.467400    
 H    2.080000      0.8517000       1.740600    
 H   -2.669100      -2.313900     -0.2867000    
 H   -2.801000      -1.869600       1.410100    
 H   -2.659400       1.007700       1.742300    
 H   -2.738800       1.866900      0.1885000    
 H   -1.028700       3.079500      0.2296000    
 H    3.434100       1.565300     -0.6290000    
 H   -5.290800      -1.142700      0.2994000    
 H   -4.668600     -0.3960000       1.778400    
 H   -5.285900      0.6227000      0.4711000    
 H   -4.013200      0.8361000      -1.704800    
 H   -2.491700     -1.8999999E-02  -1.962500    
 H   -4.006000     -0.9229000      -1.887100    


%chk=000072976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072976

0 1
O 3.264736 -0.735722 0.571961
O 3.467221 1.590005 0.146552
O 2.645854 -2.943315 0.129345
O 1.162682 3.253953 -0.229777
C 1.204150 -1.061112 -0.599566
C 1.301688 0.419572 -0.224877
C 1.607173 -0.008717 -1.664543
C -0.158178 -1.744717 -0.602719
C -1.076394 -1.101370 0.483600
C 0.038646 1.152424 0.092192
C 2.567937 0.593496 0.633981
C -1.094771 0.428275 0.398839
C 2.399579 -1.731282 0.035274
C -2.578991 -1.524189 0.445207
C -3.403015 -0.244218 0.064592
C -2.510429 0.911089 0.634270
C 0.088564 2.615081 0.016774
C -4.813259 -0.248432 0.691157
C -3.509295 -0.107667 -1.477411
H 0.855999 0.217673 -2.427216
H 2.649140 0.031556 -1.995093
H -0.029841 -2.823226 -0.398646
H -0.642073 -1.651701 -1.592146
H -0.636641 -1.375170 1.466806
H 2.336236 0.751426 1.706728
H -2.753501 -2.343914 -0.275406
H -2.899127 -1.891414 1.438058
H -2.690640 0.998600 1.727406
H -2.740580 1.892633 0.184896
H -0.855646 3.175524 0.196496
H 2.895298 2.348670 -0.180893
H -5.405922 -1.105443 0.320819
H -4.760747 -0.324604 1.793537
H -5.367867 0.674942 0.439063
H -4.025946 0.829778 -1.756985
H -2.513527 -0.098287 -1.959517
H -4.083815 -0.950696 -1.903459


