%chk=000101931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101931

0 1
 O    4.423500      3.0900000E-02  0.4696000    
 O    5.870400       1.800000      0.3150000    
 O   -6.338300      0.6968000      -1.212900    
 C    1.941900     -7.3500000E-02  0.3855000    
 C    1.017900      -1.144400     -0.2342000    
 C  -0.4144000      -1.101700      0.3164000    
 C    3.301600     -0.4661000     -0.2771000    
 C   -1.029500      0.3036000      3.4499999E-02
 C    1.349900       1.305200      4.8799999E-02
 C    1.809100      -2.438900     -7.5000003E-02
 C   -2.522900      0.4307000      0.5270000    
 C    3.280300      -2.016300     -0.2262000    
 C  -0.1046000       1.445200      0.5336000    
 C   -1.287500      -2.193800     -0.3160000    
 C    2.075500     -0.1879000       1.932600    
 C    3.565600      4.6799999E-02  -1.690200    
 C   -3.333600     -0.7687000      2.0099999E-02
 C   -2.715400      -2.133400      0.2105000    
 C   -3.114900       1.752400     -4.4100001E-02
 C   -2.622700      0.4627000       2.069000    
 C    4.300700       1.349300      -1.468000    
 C    4.973300       1.115300     -0.1519000    
 C   -4.631900       1.824200      3.1300001E-02
 C   -4.546200     -0.6693000     -0.5497000    
 C   -5.248000      0.6307000     -0.6487000    
 H   0.9420000     -0.9603000      -1.317400    
 H  -0.3891000      -1.284000       1.396300    
 H   -1.055300      0.4041000      -1.063000    
 H    1.349100       1.474000      -1.033800    
 H    1.957800       2.103500      0.4908000    
 H    1.531600      -3.180400     -0.8313000    
 H    1.643300      -2.893500      0.9082000    
 H    3.868900      -2.397700      0.6167000    
 H    3.709400      -2.465800      -1.128500    
 H  -0.1169000       1.498800       1.626300    
 H  -0.4782000       2.411400      0.1766000    
 H  -0.8743000      -3.184600     -9.4200000E-02
 H   -1.291800      -2.088600      -1.408700    
 H    2.705400      0.6197000       2.323700    
 H    1.116100     -0.1183000       2.451200    
 H    2.532300      -1.131700       2.246400    
 H    2.677000      0.1576000      -2.316500    
 H    4.244800     -0.6310000      -2.223800    
 H   -2.723100      -2.381300       1.279100    
 H   -3.305900      -2.911500     -0.2886000    
 H   -2.823200       1.857900      -1.098500    
 H   -2.700600       2.621600      0.4804000    
 H   -2.199800       1.384800       2.481500    
 H   -3.664700      0.4121000       2.406000    
 H   -2.098100     -0.3763000       2.536400    
 H    3.624400       2.202600      -1.383300    
 H    5.038000       1.527600      -2.254700    
 H   -4.974000       2.730800     -0.4802000    
 H   -4.987200       1.862500       1.065800    
 H   -5.084200      -1.540800     -0.9079000    


%chk=000101931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101931

0 1
O 4.479071 0.073071 0.485494
O 6.004749 1.813781 0.310119
O -6.446854 0.750998 -1.247979
C 1.944992 -0.072186 0.391827
C 1.017853 -1.177621 -0.204539
C -0.425811 -1.131957 0.338303
C 3.306980 -0.473146 -0.291907
C -1.037841 0.275822 0.042070
C 1.343210 1.312225 0.046277
C 1.836295 -2.486090 -0.039845
C -2.539687 0.428327 0.526821
C 3.325592 -2.030115 -0.193991
C -0.121650 1.426427 0.549934
C -1.297693 -2.237393 -0.296814
C 2.115316 -0.198008 1.932832
C 3.546430 0.084159 -1.729992
C -3.356815 -0.766478 -0.000167
C -2.762688 -2.149396 0.191952
C -3.115300 1.759926 -0.051320
C -2.643703 0.438781 2.086216
C 4.351666 1.382246 -1.521930
C 5.063407 1.170502 -0.181311
C -4.653683 1.855900 0.006045
C -4.591466 -0.621080 -0.582118
C -5.315598 0.662131 -0.678533
H 0.940623 -0.974687 -1.298405
H -0.400539 -1.301905 1.435562
H -1.073961 0.357540 -1.070184
H 1.347348 1.466892 -1.051880
H 1.945006 2.126708 0.496375
H 1.558434 -3.247717 -0.788722
H 1.660052 -2.931238 0.957435
H 3.934305 -2.324093 0.678233
H 3.803635 -2.475173 -1.083860
H -0.124523 1.451385 1.655315
H -0.525831 2.399610 0.215671
H -0.888734 -3.236061 -0.052941
H -1.269837 -2.135251 -1.401637
H 2.800208 0.584949 2.299586
H 1.153162 -0.088590 2.460311
H 2.550113 -1.167811 2.227662
H 2.606282 0.239058 -2.283887
H 4.152863 -0.641566 -2.300131
H -2.781355 -2.398185 1.274827
H -3.391379 -2.903667 -0.315104
H -2.796286 1.848959 -1.109985
H -2.678668 2.619277 0.490029
H -2.150594 1.333081 2.506052
H -3.700010 0.455305 2.408207
H -2.173651 -0.451699 2.539113
H 3.706332 2.275216 -1.434356
H 5.094989 1.587199 -2.308623
H -5.020119 2.784448 -0.466022
H -5.002949 1.877201 1.058707
H -5.128186 -1.497009 -0.969894


