%chk=000036709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036709

0 1
 O    5.176500      0.6001000     -6.9200002E-02
 O   -6.277200     -0.8460000       1.150300    
 C    1.765500      2.4000000E-02 -0.3103000    
 C   0.7370000       1.053600      0.2153000    
 C    2.942500      0.2532000      0.6962000    
 C  -0.5371000       1.152700     -0.6386000    
 C    1.570300       2.313900      0.4169000    
 C    2.938000       1.796400      0.8998000    
 C    1.078900      -1.353000     -0.2865000    
 C   -1.190900     -0.2396000     -0.7343000    
 C  -0.2248000      -1.360000      -1.107600    
 C    2.235000      0.3368000      -1.763300    
 C   -1.473300       2.233600     -6.9200002E-02
 C    2.790900     -0.4574000       2.051700    
 C    4.272600     -0.2038000      0.1536000    
 C   -2.520300     -0.4189000     -0.5304000    
 C   -2.878300       2.081900     -0.6291000    
 C   -3.411000      0.7204000     -0.2700000    
 C    4.416900      -1.694100     -9.3900003E-02
 C   -3.252500      -1.742100     -0.6096000    
 C   -4.640000      0.5868000      0.2555000    
 C   -4.218500      -1.922700      0.5556000    
 C    5.850200      -2.173900      4.6100002E-02
 C   -5.150400     -0.7419000      0.6710000    
 H   0.4085000      0.7352000       1.217700    
 H  -0.2850000       1.462900      -1.660000    
 H    1.121600       2.989500       1.152400    
 H    1.681400       2.873000     -0.5192000    
 H    3.717100       2.328800      0.3443000    
 H    3.082800       2.057100       1.955200    
 H   0.8166000      -1.641700      0.7378000    
 H    1.741500      -2.132800     -0.6748000    
 H  -0.6652000      -2.352100     -0.9938000    
 H   8.0000004E-03  -1.266700      -2.175000    
 H    2.857500     -0.4657000      -2.168300    
 H    1.403800      0.4503000      -2.463600    
 H    2.818200       1.261500      -1.823400    
 H   -1.085200       3.228900     -0.3172000    
 H   -1.509600       2.173700       1.027200    
 H    3.698300     -0.3402000       2.657800    
 H    1.969000     -2.8000001E-02   2.635600    
 H    2.590700      -1.528700       1.984400    
 H   -2.867400       2.198000      -1.720200    
 H   -3.514000       2.880700     -0.2287000    
 H    3.809900      -2.288000      0.5875000    
 H    4.077200      -1.911500      -1.109900    
 H   -3.811700      -1.769200      -1.554900    
 H   -2.586600      -2.606500     -0.6206000    
 H   -5.287900       1.439600      0.4271000    
 H   -3.679200      -2.029900       1.503500    
 H   -4.817600      -2.825200      0.3920000    
 H    5.912000      -3.252700     -0.1274000    
 H    6.235600      -1.963300       1.049100    
 H    6.505700      -1.675600     -0.6757000    


%chk=000036709-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036709

0 1
O 5.144522 0.586586 -0.298640
O -6.629207 -0.804255 0.599106
C 1.785265 -0.014360 -0.205681
C 0.754981 1.046787 0.298999
C 2.991174 0.230138 0.835788
C -0.525472 1.155370 -0.569975
C 1.596672 2.323873 0.507370
C 2.967309 1.793092 1.035274
C 1.078956 -1.391890 -0.177748
C -1.188200 -0.228811 -0.670961
C -0.233940 -1.365650 -1.018842
C 2.292188 0.296783 -1.643344
C -1.477293 2.238596 -0.014793
C 2.762146 -0.484051 2.197435
C 4.344912 -0.232449 0.232133
C -2.548740 -0.409464 -0.496476
C -2.873280 2.120940 -0.658066
C -3.455113 0.750285 -0.368756
C 4.700299 -1.724739 0.282334
C -3.247549 -1.768937 -0.538643
C -4.791741 0.600955 -0.053370
C -4.420154 -1.859758 0.468014
C 5.862948 -2.110286 -0.649673
C -5.391005 -0.684169 0.334736
H 0.410034 0.705310 1.300083
H -0.222628 1.466655 -1.595752
H 1.125418 3.028042 1.215299
H 1.721368 2.863650 -0.451445
H 3.815208 2.247985 0.496155
H 3.096942 2.029999 2.107057
H 0.821761 -1.665557 0.863068
H 1.731172 -2.192426 -0.579817
H -0.729550 -2.346870 -0.933327
H 0.041118 -1.263503 -2.090230
H 2.943135 -0.518847 -2.010585
H 1.462903 0.399691 -2.363393
H 2.886823 1.224741 -1.679655
H -1.049952 3.241057 -0.200881
H -1.570330 2.120522 1.083669
H 3.573958 -0.224680 2.902181
H 1.814110 -0.154234 2.658019
H 2.728844 -1.583385 2.109894
H -2.775506 2.254019 -1.756317
H -3.550838 2.913812 -0.294297
H 4.963745 -1.966594 1.333711
H 3.795570 -2.325856 0.066308
H -3.650979 -1.930699 -1.560462
H -2.543163 -2.595100 -0.343973
H -5.461108 1.470082 -0.043884
H -4.025636 -1.849399 1.505186
H -4.983972 -2.800754 0.344141
H 6.113246 -3.180418 -0.537541
H 6.759738 -1.509865 -0.423826
H 5.604888 -1.920566 -1.706705


