%chk=000063064.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063064

0 1
 O    5.014300      0.2210000      0.2348000    
 O    7.814500      0.2158000      0.1588000    
 C   -1.183900      -1.164100     -9.2299998E-02
 C  -0.5841000      7.1900003E-02  7.4000000E-03
 C  -0.4753000      -2.505700     -0.2075000    
 C   0.9128000      0.1121000      6.8800002E-02
 C   -2.662800      -1.276400     -0.1532000    
 C   -1.360300       1.301400      4.8599999E-02
 C    1.518500      5.9200000E-02   1.300000    
 C    1.611900      0.1997000      -1.110000    
 C  -0.1942000      -3.140600       1.149200    
 C   -3.283900      -1.251100      -1.385400    
 C   -3.371700      -1.402800       1.024300    
 C   -1.684800       1.961400      -1.136800    
 C   -1.780100       1.820600       1.273300    
 C    2.911600      9.6400000E-02   1.356300    
 C    3.005200      0.2369000      -1.053900    
 C    3.655200      0.1851000      0.1794000    
 C   -4.673600      -1.356300      -1.442700    
 C   -4.761500      -1.508200      0.9669000    
 C   -2.428900       3.140500      -1.097500    
 C   -2.524300       2.999800       1.312600    
 C   -5.412400      -1.485000     -0.2666000    
 C   -2.848600       3.659700      0.1271000    
 C    5.724600     -0.3317000     -0.8725000    
 C    7.061600     -0.8595000     -0.3892000    
 H   0.4687000      -2.400400     -0.7529000    
 H   -1.071400      -3.201600     -0.8118000    
 H   0.9483000     -7.3000002E-03   2.221900    
 H    1.114000      0.2450000      -2.074100    
 H   0.4167000      -2.498200       1.787900    
 H   0.3445000      -4.084300       1.013400    
 H   -1.123000      -3.364800       1.683400    
 H   -2.718200      -1.152600      -2.307700    
 H   -2.876200      -1.419900       1.990900    
 H   -1.366200       1.570600      -2.100300    
 H   -1.536600       1.319100       2.206900    
 H    3.412300      5.6000002E-02   2.319900    
 H    3.544900      0.3333000      -1.991300    
 H   -5.180400      -1.338100      -2.403100    
 H   -5.336900      -1.607500       1.882700    
 H   -2.681900       3.654100      -2.020400    
 H   -2.851600       3.404000       2.266000    
 H   -6.494400      -1.566700     -0.3112000    
 H   -3.428300       4.577600      0.1577000    
 H    5.182700      -1.169000      -1.329500    
 H    5.882400      0.4619000      -1.611600    
 H    7.626800      -1.301300      -1.215000    
 H    6.920600      -1.605600      0.3993000    
 H    8.662400     -0.1540000      0.4586000    


%chk=000063064-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063064

0 1
O 5.171497 -0.427711 0.264425
O 7.663609 0.591287 1.240372
C -1.362390 -1.362297 -0.198550
C -0.570576 -0.226042 -0.142420
C -0.786714 -2.762421 -0.409039
C 0.926107 -0.287090 -0.062702
C -2.854192 -1.312699 -0.046978
C -1.141695 1.163260 -0.212702
C 1.598947 -1.098244 0.896714
C 1.728060 0.514162 -0.918066
C -1.031775 -3.735506 0.773670
C -3.713621 -2.032630 -0.923486
C -3.450926 -0.597521 1.029728
C -2.124598 1.512566 -1.179622
C -0.664713 2.183510 0.656978
C 3.001875 -1.124224 0.983739
C 3.137682 0.494337 -0.853491
C 3.777581 -0.330842 0.103851
C -5.114900 -2.014888 -0.749686
C -4.849322 -0.586436 1.211746
C -2.630179 2.827276 -1.258481
C -1.175885 3.497521 0.586106
C -5.691610 -1.291325 0.319759
C -2.163455 3.826356 -0.371995
C 6.032600 0.394209 -0.608774
C 7.460023 0.127923 -0.133135
H 0.291807 -2.701947 -0.629782
H -1.262748 -3.200113 -1.311227
H 1.009600 -1.697604 1.598628
H 1.238317 1.162739 -1.652648
H -0.543792 -3.374687 1.697552
H -0.626476 -4.737696 0.542664
H -2.110549 -3.841391 0.985072
H -3.286990 -2.595893 -1.761708
H -2.805841 -0.052678 1.726931
H -2.485982 0.746260 -1.873249
H 0.108323 1.938672 1.394449
H 3.513248 -1.743369 1.727392
H 3.715483 1.118616 -1.541390
H -5.755764 -2.565859 -1.447718
H -5.282360 -0.029837 2.050708
H -3.385269 3.073787 -2.013637
H -0.802707 4.264274 1.274766
H -6.778485 -1.281176 0.458946
H -2.557450 4.847238 -0.432288
H 5.897241 0.097066 -1.669117
H 5.776378 1.465145 -0.484383
H 8.173808 0.699613 -0.749835
H 7.686151 -0.954481 -0.229666
H 6.961628 0.171191 1.801182


