%chk=000127569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127569

0 1
 O    3.096500      0.4701000     -0.6218000    
 O    2.835400      -1.025100       1.150300    
 O    6.865600       1.506300      0.6378000    
 O    5.461800       3.197200      -1.239800    
 O    4.969800      0.2443000       2.507000    
 O    1.726800       1.766500      -2.621600    
 O  -0.5791000      -3.627800     -0.9307000    
 O   -2.203800      -4.884800      -1.935300    
 C    5.442500       1.613700      0.5771000    
 C    5.050100       1.882100     -0.8758000    
 C    4.812100      0.3190000       1.090300    
 C    3.536200       1.756300      -1.061800    
 C    3.318100      0.2635000      0.7713000    
 C    3.132700       1.904300      -2.525400    
 C    1.513500      -1.275600      0.9481000    
 C   -4.159100     -9.7199999E-02  8.3099999E-02
 C   -5.224900      0.7960000      0.7298000    
 C   -3.717700      -1.303100      0.9168000    
 C   -5.647000       1.974300     -0.1506000    
 C   -2.638700      -2.109500      0.2759000    
 C   -1.229500      -1.786000      0.5362000    
 C    1.119600      -2.318300      0.1160000    
 C  -0.2420000      -2.557900     -7.7600002E-02
 C   -6.732600       2.812300      0.5288000    
 C   0.5493000     -0.4880000       1.574600    
 C  -0.8122000     -0.7404000       1.370700    
 C   -7.179500       3.971300     -0.3619000    
 C   -2.929900      -3.132500     -0.5400000    
 C   -1.899700      -3.956400      -1.194600    
 C   -8.234400       4.825400      0.3229000    
 H    5.173000       2.461600       1.217600    
 H    5.575900       1.180700      -1.535300    
 H    5.326900     -0.5524000      0.6686000    
 H    3.002600       2.523300     -0.4840000    
 H    2.789700       1.032300       1.350400    
 H    3.587200       1.117600      -3.136700    
 H    3.417900       2.882600      -2.923900    
 H    7.135500      0.7489000      9.0899996E-02
 H    4.990200       3.828100     -0.6696000    
 H    4.519000       1.010300       2.901600    
 H   -4.540300     -0.4516000     -0.8837000    
 H   -3.283500      0.5250000     -0.1437000    
 H   -6.104800      0.1837000      0.9629000    
 H   -4.840400       1.175000       1.684700    
 H   -3.449800     -0.9937000       1.933000    
 H   -4.600400      -1.942000       1.065500    
 H   -6.020000       1.597200      -1.110500    
 H   -4.774400       2.602400     -0.3662000    
 H    1.492700       1.859100      -3.560800    
 H    1.863200      -2.937700     -0.3774000    
 H   -7.595700       2.177600      0.7637000    
 H   -6.351000       3.203600       1.479700    
 H   0.8352000      0.3219000       2.240400    
 H   -1.519900     -9.0899996E-02   1.877000    
 H   -7.585200       3.582600      -1.303100    
 H   -6.318000       4.600200     -0.6149000    
 H   -3.960800      -3.397000     -0.7556000    
 H   -7.847800       5.256800       1.251700    
 H   -8.540200       5.647300     -0.3319000    
 H   -9.123400       4.233200      0.5627000    


%chk=000127569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127569

0 1
O 2.983318 1.150883 -0.675133
O 2.720889 -1.153337 -0.322297
O 7.142050 0.882649 -0.178798
O 5.805969 3.521064 -0.204860
O 5.355075 -1.234484 0.908052
O 1.642154 3.736681 -0.222656
O -0.918830 -4.178995 0.131680
O -2.590169 -5.758750 0.321950
C 5.709758 1.079811 0.148119
C 5.128602 2.289120 -0.607346
C 4.922664 -0.232697 -0.060736
C 3.632749 2.410882 -0.247629
C 3.418182 0.009723 0.147407
C 2.915277 3.557783 -0.938825
C 1.364316 -1.305706 0.037519
C -4.280338 -0.263350 0.273442
C -5.243717 0.853585 0.731909
C -3.714908 -1.083566 1.470378
C -5.837104 1.660252 -0.445105
C -2.732446 -2.155269 1.036895
C -1.351681 -1.813742 0.704352
C 0.864899 -2.616319 -0.071567
C -0.481034 -2.857009 0.256804
C -6.789386 2.789666 0.009186
C 0.532811 -0.230382 0.459954
C -0.802360 -0.502567 0.792734
C -7.385120 3.596281 -1.167276
C -3.145042 -3.470952 0.918911
C -2.289113 -4.557294 0.462130
C -8.331740 4.725296 -0.705270
H 5.734968 1.315696 1.228159
H 5.226297 2.125483 -1.705505
H 5.060514 -0.591460 -1.105915
H 3.532456 2.543851 0.851942
H 3.189833 0.207150 1.218996
H 2.748052 3.297422 -2.004562
H 3.549339 4.463613 -0.867962
H 7.220749 0.633079 -1.137770
H 6.779450 3.330424 -0.154987
H 6.347286 -1.264884 0.893601
H -4.806871 -0.952356 -0.415989
H -3.446065 0.179514 -0.305361
H -6.069836 0.407817 1.324490
H -4.707667 1.544103 1.416770
H -3.236919 -0.387412 2.187146
H -4.560942 -1.556216 2.003038
H -6.382496 0.971917 -1.123819
H -5.010982 2.096940 -1.044500
H 1.105299 4.433819 -0.674609
H 1.511889 -3.435889 -0.391355
H -7.616123 2.354829 0.609124
H -6.244370 3.480162 0.686730
H 0.912471 0.794673 0.472879
H -1.440573 0.324910 1.117351
H -7.931938 2.906340 -1.842083
H -6.558493 4.027550 -1.768267
H -4.169142 -3.763544 1.168177
H -7.800818 5.447213 -0.056265
H -8.746094 5.284409 -1.564301
H -9.181701 4.317289 -0.126177


