%chk=000122511.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122511

0 1
 O    3.514700      0.9470000     -0.8179000    
 O    3.581900       1.062500       1.485400    
 C  -0.8706000     -0.8091000     -0.3488000    
 C   0.4847000     -0.5693000      0.3235000    
 C   -2.032400     -9.7300000E-02  0.3488000    
 C    1.697500      -1.218400     -0.3573000    
 C   -3.358600     -0.3796000     -0.3621000    
 C    3.031200      -1.028400      0.3798000    
 C   -4.554900      0.3306000      0.2781000    
 C   -5.883400      2.9400000E-02 -0.4168000    
 C    4.156000      -1.787600     -0.3209000    
 C    3.405900      0.4413000      0.4448000    
 C   -7.039600      0.7475000      0.2625000    
 C    3.867700       2.331400     -0.8990000    
 H   -1.067100      -1.888000     -0.3759000    
 H  -0.8134000     -0.4717000      -1.391100    
 H   0.4290000     -0.9320000       1.357800    
 H   0.6505000      0.5134000      0.3850000    
 H   -1.845600      0.9831000      0.3634000    
 H   -2.095800     -0.4299000       1.391600    
 H    1.500100      -2.294600     -0.4470000    
 H    1.767500     -0.8363000      -1.383700    
 H   -3.280800     -6.9700003E-02  -1.411600    
 H   -3.543500      -1.461000     -0.3642000    
 H    2.938600      -1.397000       1.408400    
 H   -4.376700       1.413100      0.2660000    
 H   -4.623600      3.3500001E-02   1.332200    
 H   -6.071900      -1.050300     -0.4052000    
 H   -5.831300      0.3391000      -1.466900    
 H    4.255000      -1.496500      -1.372500    
 H    3.969500      -2.866200     -0.2890000    
 H    5.118200      -1.597000      0.1671000    
 H   -7.979900      0.5197000     -0.2493000    
 H   -7.136800      0.4344000       1.306900    
 H   -6.894900       1.832400      0.2405000    
 H    3.102600       2.945900     -0.4149000    
 H    3.922200       2.606900      -1.955500    
 H    4.846900       2.500100     -0.4410000    


%chk=000122511-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122511

0 1
O 3.468842 1.002297 -0.847758
O 3.690894 1.090962 1.465619
C -0.833957 -0.841059 -0.352160
C 0.515277 -0.567103 0.349390
C -2.027216 -0.126292 0.320988
C 1.702959 -1.275842 -0.338095
C -3.377171 -0.393538 -0.382302
C 3.068041 -1.049886 0.368839
C -4.570032 0.324762 0.288043
C -5.919932 0.060152 -0.417448
C 4.203716 -1.848871 -0.323968
C 3.432581 0.431472 0.432368
C -7.105815 0.782074 0.258451
C 3.837639 2.436462 -0.900057
H -1.024306 -1.934899 -0.369423
H -0.765886 -0.520884 -1.412950
H 0.452444 -0.890457 1.409160
H 0.697365 0.527214 0.369267
H -1.834745 0.966900 0.340521
H -2.096125 -0.447355 1.381423
H 1.512966 -2.368306 -0.365571
H 1.784994 -0.934762 -1.388076
H -3.306911 -0.073837 -1.443297
H -3.571281 -1.486669 -0.400076
H 2.987386 -1.373838 1.423877
H -4.376640 1.417935 0.307468
H -4.643312 0.004283 1.348521
H -6.112513 -1.032157 -0.436377
H -5.845495 0.380453 -1.476911
H 4.312270 -1.533651 -1.376230
H 3.969106 -2.928633 -0.304001
H 5.172719 -1.700523 0.185710
H -8.058324 0.576131 -0.263935
H -7.219735 0.457195 1.310041
H -6.952180 1.877895 0.262102
H 3.122232 3.038475 -0.314598
H 3.798055 2.698633 -1.966764
H 4.850988 2.586666 -0.490591


