%chk=000168759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168759

0 1
 O   -4.428600       1.438300      0.6497000    
 O   -4.807100      0.3070000      -1.306700    
 O    3.385900       2.343800       1.025900    
 O    3.882900       1.459700      -1.160200    
 O    1.846500      -2.462500       1.787600    
 O    2.334000      -3.799500     -0.6002000    
 C   -2.113000       1.123500      0.8404000    
 C   -2.648800      0.1478000     -0.2020000    
 C   -3.364300       1.507500       1.604900    
 C   -1.478100       2.349300      0.1778000    
 C   -2.646700      -1.296700      0.2783000    
 C   -4.068200      0.6217000     -0.3860000    
 C  -4.5400001E-02   2.097200     -0.2160000    
 C   -1.315600      -1.964600      4.7200002E-02
 C   0.9679000       2.379700      0.6921000    
 C   0.2307000       1.584000      -1.487600    
 C  -0.3420000      -1.903700       1.033200    
 C   -1.084700      -2.628800      -1.148400    
 C    2.263200       2.132400      0.2862000    
 C    1.551300       1.342500      -1.873500    
 C    2.547200       1.627700     -0.9621000    
 C   0.8903000      -2.521100      0.8189000    
 C   0.1475000      -3.246200      -1.362800    
 C    1.135000      -3.192200     -0.3791000    
 C    4.408200       1.914800      0.1034000    
 C    2.751700      -1.361500       1.738900    
 H   -1.389100      0.6815000       1.531300    
 H   -2.146300      0.2384000      -1.167500    
 H   -3.586700      0.7987000       2.410200    
 H   -3.325100       2.513200       2.033800    
 H   -1.491200       3.201400      0.8709000    
 H   -2.053800       2.684300     -0.6952000    
 H   -3.420500      -1.874400     -0.2462000    
 H   -2.920400      -1.369800       1.339200    
 H   0.7590000       2.775000       1.679900    
 H  -0.5652000       1.386600      -2.199500    
 H  -0.5293000      -1.395300       1.974700    
 H   -1.846100      -2.673800      -1.921900    
 H    1.779500      0.9488000      -2.857400    
 H   0.3323000      -3.766600      -2.298700    
 H    4.974300       1.096500      0.5631000    
 H    5.089000       2.753700     -8.1000000E-02
 H    2.885400      -3.693300      0.1941000    
 H    3.198800      -1.260600      0.7448000    
 H    3.549800      -1.541400       2.464200    
 H    2.231400     -0.4399000       2.014700    


%chk=000168759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168759

0 1
O -4.530271 1.314346 0.774742
O -4.897804 -0.047087 -1.070767
O 3.378595 1.150242 -0.084634
O 3.389046 1.105914 -2.482809
O 2.217071 -2.408401 2.297963
O 3.339188 -2.440909 -0.129980
C -2.092481 1.275569 0.869094
C -2.586143 0.207789 -0.142313
C -3.376558 1.625668 1.669240
C -1.482035 2.532784 0.174659
C -2.295233 -1.277199 0.257784
C -4.101935 0.437892 -0.250640
C -0.203143 2.217912 -0.588687
C -0.815025 -1.621453 0.165864
C 0.975539 1.872507 0.140730
C -0.176886 2.217874 -2.005574
C -0.047874 -1.864217 1.337034
C -0.174148 -1.684765 -1.095335
C 2.105833 1.512068 -0.588887
C 0.989069 1.859753 -2.741748
C 2.113837 1.494998 -2.001714
C 1.328542 -2.146519 1.232327
C 1.205398 -1.966927 -1.202990
C 1.961869 -2.188182 -0.040119
C 4.133820 0.656602 -1.271276
C 1.676736 -2.389258 3.657108
H -1.327832 0.845698 1.541230
H -2.144150 0.375108 -1.140963
H -3.493352 1.015279 2.582868
H -3.456124 2.694486 1.926257
H -1.277217 3.288614 0.959456
H -2.236466 2.974051 -0.505450
H -2.883419 -1.922114 -0.422955
H -2.672526 -1.462157 1.282225
H 0.992167 1.878001 1.235086
H -1.080475 2.503108 -2.556715
H -0.537557 -1.838141 2.316897
H -0.754688 -1.510561 -2.008549
H 1.001952 1.864296 -3.834605
H 1.702467 -2.014463 -2.176492
H 4.154196 -0.448192 -1.240896
H 5.130500 1.122884 -1.276088
H 3.687509 -2.583637 0.790472
H 1.267994 -1.391037 3.906138
H 2.527558 -2.617147 4.315513
H 0.890057 -3.157977 3.780898


