%chk=000027409.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027409

0 1
 O   0.4022000     -0.3183000      0.9223000    
 O    1.829700      -2.112600      0.6405000    
 O   -2.628100      -1.522900      -2.017400    
 C    3.645400      0.1910000     -0.4028000    
 C    2.611100       1.262000     -0.2161000    
 C    2.700600      0.1296000      0.7457000    
 C    5.080700      0.5262000     -0.1640000    
 C    3.451400     -0.8212000      -1.482800    
 C    3.039200       2.601900      0.2822000    
 C    1.466500       1.331900      -1.172400    
 C    1.623500     -0.9124000      0.7595000    
 C  -0.7145000      -1.196300      0.9529000    
 C  -0.8837000      -1.891400     -0.3928000    
 C   -1.973100     -0.3923000       1.136600    
 C   -2.809300     -0.4266000      8.9900002E-02
 C   -2.160700      -1.297700     -0.9104000    
 C   -2.168800      0.3474000       2.419200    
 C   -4.119400      0.2179000     -0.1598000    
 C   -3.982100       1.572900     -0.7940000    
 C   -4.410500       2.711100     -0.2362000    
 H    3.112100      0.3222000       1.731900    
 H    5.692100     -0.3832000     -0.1469000    
 H    5.462500       1.169300     -0.9640000    
 H    5.254100       1.030000      0.7919000    
 H    4.014300      -1.733000      -1.249500    
 H    2.424800      -1.135300      -1.681000    
 H    3.846700     -0.4309000      -2.428100    
 H    2.169500       3.193700      0.5901000    
 H    3.701600       2.555500       1.152500    
 H    3.555900       3.157200     -0.5081000    
 H    1.056300      0.3772000      -1.504100    
 H   0.6338000       1.891000     -0.7293000    
 H    1.773900       1.873200      -2.074800    
 H  -0.5963000      -1.921600       1.767400    
 H   -1.033900      -2.968100     -0.2642000    
 H  -8.3600000E-02  -1.700500      -1.111300    
 H   -2.158100     -0.3496000       3.263100    
 H   -3.119300      0.8878000       2.445800    
 H   -1.368000       1.079400       2.564100    
 H   -4.731600     -0.4145000     -0.8142000    
 H   -4.681400      0.2888000      0.7797000    
 H   -3.517500       1.621000      -1.776100    
 H   -4.286500       3.656600     -0.7527000    
 H   -4.886900       2.720800      0.7378000    


%chk=000027409-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027409

0 1
O -0.088072 0.354595 -0.775707
O 1.322069 -1.509118 -0.620154
O -4.624538 0.348551 -2.059973
C 3.528658 0.643845 0.291689
C 3.640792 0.636967 -1.242635
C 2.223306 0.788349 -0.574889
C 3.928082 1.887624 1.091587
C 3.775184 -0.643816 1.080285
C 4.151166 1.873569 -1.988656
C 3.997270 -0.658021 -1.975251
C 1.183358 -0.257875 -0.651541
C -1.271623 -0.556884 -0.903088
C -2.165694 -0.095253 -2.067708
C -2.139414 -0.449322 0.348494
C -3.435884 -0.120543 0.032155
C -3.559471 0.081366 -1.438832
C -1.550968 -0.707557 1.703370
C -4.627056 0.050383 0.951183
C -4.634395 1.404999 1.646112
C -4.716562 1.591009 2.987031
H 1.801282 1.797530 -0.612074
H 3.396405 1.901422 2.061329
H 5.014426 1.874536 1.304295
H 3.697298 2.832214 0.571805
H 3.324773 -0.563160 2.087718
H 3.346069 -1.533652 0.596423
H 4.862878 -0.801229 1.210745
H 3.762248 1.877575 -3.023915
H 3.849662 2.823049 -1.515891
H 5.256709 1.858740 -2.044684
H 3.501311 -1.543846 -1.551446
H 3.698754 -0.586403 -3.038039
H 5.092112 -0.816902 -1.943993
H -0.872746 -1.582076 -1.025570
H -2.203012 -0.805831 -2.910384
H -1.811180 0.873552 -2.462040
H -1.058796 -1.698782 1.736574
H -2.305414 -0.650369 2.503642
H -0.763075 0.039236 1.921390
H -5.537026 -0.034348 0.323272
H -4.662547 -0.754710 1.708311
H -4.578653 2.277839 0.978896
H -4.732986 2.594629 3.426292
H -4.780100 0.745320 3.683973


