%chk=000036592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036592

0 1
 O    4.462700      -1.613600     -1.6600000E-02
 O   -6.158200      0.3880000      0.9531000    
 C    1.450400      0.4605000      2.1600001E-02
 C    2.096500     -0.9103000     -0.2630000    
 C   2.6600000E-02  0.5619000     -0.5286000    
 C  -0.8507000     -0.5337000      0.1467000    
 C    3.488800     -0.6534000      0.3495000    
 C    2.504100       1.465600     -0.4437000    
 C    1.269300      -1.983900      0.4560000    
 C    3.854300      0.7706000     -0.1417000    
 C  -0.2103000      -1.941400      3.3399999E-02
 C   -2.311600     -0.4969000     -0.3979000    
 C  -0.5871000       1.945500     -0.2827000    
 C    2.209700      -1.271300      -1.765300    
 C   -1.999200       2.018400     -0.8532000    
 C   -2.885600      0.9128000     -0.3354000    
 C    4.683600       1.527400      0.8894000    
 C   -3.195100      -1.509000      0.3603000    
 C   -4.677000      -1.295900      0.1066000    
 C   -4.120300       1.199400      0.1072000    
 C    6.014400      0.8437000       1.142900    
 C   -5.065300      0.1156000      0.4616000    
 H    1.375500      0.5892000       1.114700    
 H   3.8800001E-02  0.3951000      -1.612800    
 H  -0.8930000     -0.2981000       1.221700    
 H    3.417700     -0.6715000       1.444700    
 H    2.413800       1.658100      -1.519000    
 H    2.399000       2.426300      7.1199998E-02
 H    1.322700      -1.833600       1.542200    
 H    1.679500      -2.982500      0.2634000    
 H    4.436400      0.7182000      -1.071300    
 H  -0.3140000      -2.310500     -0.9935000    
 H  -0.7528000      -2.650300      0.6693000    
 H   -2.293700     -0.7875000      -1.457900    
 H   2.3499999E-02   2.722200     -0.7572000    
 H  -0.6075000       2.166600      0.7922000    
 H    1.237800      -1.319100      -2.263400    
 H    2.815700     -0.5526000      -2.325200    
 H    2.676600      -2.255100      -1.890900    
 H   -1.951700       1.938700      -1.946900    
 H   -2.420200       3.006300     -0.6304000    
 H    4.135800       1.626500       1.834000    
 H    4.873000       2.544200      0.5244000    
 H   -3.006300      -1.429100       1.439500    
 H   -2.935000      -2.531900      6.5300003E-02
 H    4.680300      -1.492200     -0.9557000    
 H   -5.256500      -1.987500      0.7276000    
 H   -4.932700      -1.476500     -0.9430000    
 H   -4.496200       2.215600      0.1537000    
 H    5.889500     -0.1150000       1.654600    
 H    6.560600      0.6736000      0.2095000    
 H    6.639000       1.473400       1.785200    


%chk=000036592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036592

0 1
O 4.528829 -1.709280 -0.016384
O -6.301725 0.405009 0.976350
C 1.462992 0.454747 -0.041359
C 2.101301 -0.943241 -0.298823
C 0.018429 0.571848 -0.563837
C -0.855837 -0.522867 0.127814
C 3.520727 -0.687949 0.301289
C 2.544308 1.456834 -0.521860
C 1.252821 -2.007294 0.431755
C 3.907365 0.765704 -0.155471
C -0.235300 -1.942800 -0.006378
C -2.341661 -0.492760 -0.378663
C -0.588273 1.969387 -0.311916
C 2.238698 -1.298378 -1.802720
C -2.040883 2.043418 -0.839849
C -2.918148 0.922814 -0.314196
C 4.713975 1.550796 0.907566
C -3.222209 -1.507748 0.398594
C -4.733725 -1.299779 0.169212
C -4.180706 1.183416 0.155827
C 6.077291 0.916139 1.258707
C -5.157874 0.130784 0.498433
H 1.400247 0.559842 1.067810
H 0.010611 0.393572 -1.662308
H -0.878835 -0.267428 1.212733
H 3.459414 -0.736747 1.405955
H 2.462011 1.630936 -1.612076
H 2.450656 2.441169 -0.027847
H 1.314856 -1.827689 1.525815
H 1.655456 -3.022833 0.252266
H 4.542453 0.679468 -1.064421
H -0.336158 -2.284771 -1.057172
H -0.810735 -2.660209 0.607447
H -2.318892 -0.789749 -1.454387
H 0.022001 2.748232 -0.807173
H -0.573864 2.186552 0.775847
H 1.260750 -1.360955 -2.307985
H 2.843653 -0.556160 -2.355751
H 2.724099 -2.286384 -1.907854
H -2.004030 1.959496 -1.948552
H -2.497051 3.023957 -0.611509
H 4.096142 1.639592 1.825786
H 4.874220 2.585453 0.541614
H -3.005052 -1.403677 1.481423
H -2.948535 -2.539415 0.113987
H 4.798615 -1.600707 -0.963233
H -5.339976 -1.999721 0.770267
H -4.983744 -1.486172 -0.896596
H -4.542490 2.216713 0.238517
H 5.957528 -0.121807 1.614256
H 6.737798 0.883743 0.371258
H 6.594058 1.497896 2.043992


