%chk=000080548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080548

0 1
 O   -3.777800      0.4024000      9.2699997E-02
 O   -3.750300       1.784300      -1.753800    
 C   -4.251100     -0.6719000     -0.7170000    
 C   -5.146900      -1.570400      0.1357000    
 C   -3.065200      -1.445200      -1.296300    
 C   -4.358300      -2.315900       1.213100    
 C   -2.279700      -2.188300     -0.2155000    
 C   -3.185800      -3.090000      0.6177000    
 C   0.6257000       1.375000      0.9145000    
 C    1.763700       1.052000     -5.6400001E-02
 C  -0.6214000       1.856300      0.1699000    
 C    2.998200      0.5400000      0.6881000    
 C   -1.769800       2.146100       1.141400    
 C    4.201700      0.2872000     -0.2252000    
 C   -3.040200       2.602700      0.4244000    
 C   -3.568200       1.583600     -0.5610000    
 C    5.496700     -0.1441000      0.4723000    
 C    6.675300     -0.3214000     -0.4883000    
 C    7.942600     -0.8381000      0.1978000    
 C    9.110700      -1.044400     -0.7540000    
 H   -4.869000     -0.2862000      -1.538000    
 H   -5.924000     -0.9695000      0.6225000    
 H   -5.650700      -2.300800     -0.5093000    
 H   -3.431400      -2.169700      -2.034000    
 H   -2.383700     -0.7645000      -1.819000    
 H   -3.984000      -1.601600       1.956800    
 H   -5.024000      -3.006200       1.743500    
 H   -1.491400      -2.789400     -0.6828000    
 H   -1.780000      -1.465000      0.4406000    
 H   -2.604500      -3.554800       1.422000    
 H   -3.568200      -3.903400     -1.1300000E-02
 H    1.434500      0.2956000     -0.7790000    
 H    2.024200       1.952200     -0.6260000    
 H   0.9519000       2.146100       1.622900    
 H   0.3802000      0.4802000       1.499500    
 H  -0.9216000       1.089100     -0.5527000    
 H  -0.3849000       2.762800     -0.4002000    
 H    3.286500       1.271800       1.453000    
 H    2.748500     -0.3878000       1.217100    
 H   -1.462800       2.928800       1.845500    
 H   -1.979100       1.249400       1.737300    
 H    4.405400       1.204500     -0.7926000    
 H    3.927300     -0.4767000     -0.9638000    
 H   -2.843100       3.531300     -0.1240000    
 H   -3.833400       2.819400       1.148600    
 H    5.314500      -1.086600       1.003000    
 H    5.761800      0.6010000       1.232300    
 H    6.389000      -1.022700      -1.281800    
 H    6.891900      0.6370000     -0.9759000    
 H    7.722900      -1.789800      0.6962000    
 H    8.243800     -0.1321000      0.9808000    
 H    9.985600      -1.412300     -0.2090000    
 H    8.858400      -1.775700      -1.528400    
 H    9.384100     -0.1050000      -1.244700    


%chk=000080548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080548

0 1
O -3.911798 0.396834 0.124514
O -3.849500 1.801944 -1.738164
C -4.514466 -0.702077 -0.718734
C -5.305991 -1.587004 0.256891
C -3.389459 -1.468512 -1.443107
C -4.382561 -2.356760 1.231759
C -2.476408 -2.239688 -0.461023
C -3.303971 -3.161925 0.467158
C 0.693104 1.376557 0.949480
C 1.858553 1.042710 -0.008715
C -0.597621 1.801413 0.214337
C 3.163386 0.656296 0.723354
C -1.763884 2.112628 1.178231
C 4.326781 0.319920 -0.236520
C -3.043058 2.614234 0.456945
C -3.626227 1.604078 -0.520054
C 5.639213 -0.044931 0.493390
C 6.801475 -0.383240 -0.467239
C 8.116829 -0.739805 0.262484
C 9.271200 -1.078860 -0.705363
H -5.175886 -0.211943 -1.457112
H -6.030463 -0.962735 0.811957
H -5.891834 -2.309503 -0.347697
H -3.874579 -2.184865 -2.137824
H -2.809038 -0.763570 -2.065839
H -3.886645 -1.631132 1.905241
H -4.988922 -3.030471 1.867031
H -1.732120 -2.829876 -1.029350
H -1.911465 -1.513554 0.156920
H -2.637369 -3.680952 1.182628
H -3.795377 -3.948955 -0.142820
H 1.554161 0.212372 -0.679864
H 2.053410 1.916216 -0.665680
H 1.006762 2.189582 1.637719
H 0.478292 0.494314 1.588606
H -0.901192 0.995313 -0.485505
H -0.387854 2.692853 -0.412532
H 3.468940 1.489760 1.390329
H 2.969484 -0.214607 1.384277
H -1.445855 2.892704 1.898602
H -2.013458 1.210086 1.767923
H 4.510266 1.186155 -0.906477
H 4.027008 -0.522459 -0.894678
H -2.833328 3.535275 -0.113961
H -3.818846 2.847424 1.211716
H 5.456344 -0.909463 1.165832
H 5.940145 0.799320 1.148812
H 6.504419 -1.231364 -1.119366
H 6.982077 0.478814 -1.143465
H 7.935681 -1.599948 0.939205
H 8.413980 0.108863 0.912107
H 10.198621 -1.332318 -0.159269
H 9.009393 -1.942016 -1.346350
H 9.494250 -0.223831 -1.371537


