%chk=000124255.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124255

0 1
 O    2.426500     -0.5514000      0.7521000    
 O   -2.069500      -3.249600     -0.8487000    
 O   -5.091000       1.289700     -9.0200000E-02
 C    3.438000      -1.439000      0.2063000    
 C    2.800400      -2.295500     -0.8986000    
 C    4.603000     -0.6052000     -0.3012000    
 C    1.382300      -2.189900     -0.4894000    
 C    1.241700      -1.162300      0.4305000    
 C    5.246200      0.2017000      0.8276000    
 C   -1.108500      -1.513500      0.5057000    
 C   0.2818000      -2.899000     -0.9345000    
 C   9.8000001E-03 -0.7989000      0.9388000    
 C  -0.9734000      -2.557900     -0.4239000    
 C   -2.454300      -1.149000       1.042700    
 C    6.421700       1.007700      0.3373000    
 C   -3.150800     -8.6900003E-02  0.1849000    
 C   -4.500400      0.3177000      0.7614000    
 C    7.689600      0.4457000      0.3579000    
 C    6.217100       2.298800     -0.1270000    
 C    8.777600       1.191300     -9.5799997E-02
 C    7.305100       3.044300     -0.5809000    
 C    8.585400       2.490500     -0.5653000    
 C   -6.460800       1.329200     -0.1273000    
 C   -7.190100      0.9599000      0.9970000    
 C   -7.105600       1.737500      -1.288900    
 C   -8.583900      0.9993000      0.9590000    
 C   -8.499500       1.777000      -1.326900    
 C   -9.238500       1.407900     -0.2028000    
 H    3.773200      -2.087000       1.028800    
 H    3.181900      -3.320200     -0.8839000    
 H    2.937700      -1.861400      -1.894500    
 H    5.349200      -1.260300     -0.7676000    
 H    4.251400      8.8000000E-02  -1.076700    
 H    5.574600     -0.4700000       1.631400    
 H    4.514000      0.8776000       1.287300    
 H   0.3976000      -3.692900      -1.665200    
 H  -7.7200003E-02  1.4400000E-02   1.651500    
 H   -2.347800     -0.7775000       2.070700    
 H   -3.087600      -2.041000       1.126700    
 H   -2.518100      0.8054000      9.0800002E-02
 H   -3.289300     -0.4548000     -0.8401000    
 H   -4.367500      0.7482000       1.760600    
 H   -5.117100     -0.5877000      0.8326000    
 H    7.849300     -0.5661000      0.7196000    
 H    5.223700       2.738100     -0.1451000    
 H   -1.788900      -3.928100      -1.486600    
 H    9.774300      0.7601000     -8.4299996E-02
 H    7.155500       4.055800     -0.9470000    
 H    9.432500       3.071000     -0.9190000    
 H   -6.719500      0.6635000       1.929300    
 H   -6.533700       2.025400      -2.166400    
 H   -9.159800      0.7183000       1.836000    
 H   -9.009300       2.095300      -2.231400    
 H   -10.32370       1.440100     -0.2319000    


%chk=000124255-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124255

0 1
O 2.541216 -0.736230 0.905092
O -2.103274 -3.365077 -0.799376
O -5.315498 0.722883 -0.518525
C 3.645607 -1.595870 0.317367
C 2.960895 -2.497628 -0.757918
C 4.750794 -0.676918 -0.204621
C 1.485903 -2.386206 -0.401624
C 1.323581 -1.344357 0.536440
C 5.389614 0.199072 0.907682
C -1.088940 -1.656853 0.567069
C 0.356292 -3.077411 -0.870476
C 0.062421 -0.968964 1.028306
C -0.920955 -2.706144 -0.379513
C -2.478157 -1.283195 1.054037
C 6.479461 1.111194 0.364977
C -3.262216 -0.436937 0.012823
C -4.672986 -0.116282 0.509645
C 7.839722 0.707585 0.369518
C 6.153378 2.374600 -0.193953
C 8.847405 1.539610 -0.169480
C 7.156322 3.210505 -0.734268
C 8.508550 2.795124 -0.724949
C -6.630333 1.155460 -0.284949
C -7.390160 0.830470 0.867604
C -7.190424 1.970959 -1.301325
C -8.708860 1.328643 0.990560
C -8.504259 2.458764 -1.163095
C -9.273990 2.141562 -0.015817
H 4.016548 -2.212069 1.161954
H 3.344000 -3.532272 -0.714456
H 3.156311 -2.109849 -1.777724
H 5.533251 -1.303906 -0.678493
H 4.332735 -0.027513 -0.997702
H 5.804787 -0.466070 1.690630
H 4.584198 0.791408 1.379328
H 0.456888 -3.888734 -1.603349
H -0.033617 -0.160818 1.759909
H -2.396056 -0.717353 2.002191
H -3.054077 -2.205213 1.264091
H -2.722880 0.506759 -0.189734
H -3.328309 -0.994249 -0.937788
H -4.641757 0.436337 1.473139
H -5.261299 -1.047102 0.653544
H 8.111323 -0.262235 0.806025
H 5.107218 2.706061 -0.196683
H -1.888452 -4.092997 -1.432715
H 9.893629 1.212971 -0.151629
H 6.885958 4.185334 -1.156276
H 9.288190 3.443851 -1.139938
H -6.974879 0.201980 1.660878
H -6.580711 2.205247 -2.179565
H -9.293597 1.075368 1.882508
H -8.929846 3.088623 -1.952498
H -10.295365 2.522381 0.088523


