%chk=000127568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127568

0 1
 O    3.580600      -1.826100     -0.1276000    
 O   -1.842300      -2.975400      -1.413800    
 O   0.9084000      0.5485000     -0.8923000    
 O   -3.525600     -0.9891000      -1.594300    
 O    4.009200      0.7507000       1.192100    
 O    4.649200       2.611900     -0.6799000    
 C  -0.4435000     -0.7468000       1.342400    
 C   -1.042900      0.5447000      0.6559000    
 C   -2.519000      0.4311000      0.1181000    
 C   -1.038100      -2.041200      0.6773000    
 C    1.099700     -0.6972000       1.157100    
 C  -0.8577000       1.838800       1.471500    
 C   -1.411800      -1.774300     -0.7894000    
 C   -2.569700     -0.7820000     -0.8440000    
 C  -0.6978000     -0.7897000       2.866100    
 C    1.475100     -0.6249000     -0.3132000    
 C   -2.903800       1.744300     -0.5967000    
 C    2.967000     -0.5821000     -0.4681000    
 C   -3.564800      0.1789000       1.222100    
 C   -1.115100       3.065800      0.6015000    
 C  -0.1579000      -3.294400      0.8131000    
 C   -2.252400       2.899500     -0.3553000    
 C    3.579500      -1.458300      -1.513100    
 C   -4.077300       1.779400      -1.544400    
 C    3.701100      0.5840000      2.5400000E-02
 C    4.049800       1.603800      -1.010500    
 H  -0.6945000      0.7670000     -0.3130000    
 H   -1.965900      -2.299200       1.205800    
 H    1.586000      -1.551300       1.643200    
 H    1.486300      0.1862000       1.679300    
 H   0.1601000       1.920900       1.866500    
 H   -1.532000       1.854600       2.334900    
 H  -0.6371000      -1.370200      -1.430200    
 H  -0.2941000      -1.706400       3.309800    
 H  -0.2163000      4.6200000E-02   3.384500    
 H   -1.761800     -0.7565000       3.109500    
 H    1.135900      -1.494600     -0.8671000    
 H   -3.431400     -0.7870000       1.713300    
 H   -3.549500      0.9567000       1.992100    
 H   -4.582000      0.1535000      0.8136000    
 H  -0.2137000       3.296500      2.0500001E-02
 H   -1.304200       3.930500       1.247700    
 H  -0.7309000      -4.189300      0.5435000    
 H   0.7244000      -3.282800      0.1699000    
 H   0.1702000      -3.440300       1.846900    
 H   -2.555700       3.805100     -0.8758000    
 H    2.940400      -2.022700      -2.180600    
 H    4.530100      -1.179200      -1.950700    
 H   -4.949100       1.273700      -1.119900    
 H   -3.817400       1.308400      -2.497100    
 H   -4.392100       2.804500      -1.771200    
 H   -2.014100      -2.776400      -2.350200    
 H    1.155000      0.5579000      -1.833200    
 H    3.724300       1.381100      -2.038500    


%chk=000127568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127568

0 1
O 3.881265 -1.635163 0.466680
O -1.969713 -2.932972 -1.576062
O 1.485657 0.816512 -1.149609
O -3.924713 -1.214813 -1.161207
O 4.796854 0.601100 -1.871514
O 3.529658 1.624633 1.280029
C -0.403428 -0.655255 1.153844
C -1.130245 0.609782 0.535608
C -2.650536 0.448951 0.162355
C -1.011318 -1.978742 0.536847
C 1.143096 -0.519759 0.915318
C -0.914920 1.913847 1.338227
C -1.587307 -1.710899 -0.895365
C -2.814676 -0.808928 -0.707741
C -0.560297 -0.734206 2.701647
C 1.703701 -0.522567 -0.517384
C -3.118701 1.728909 -0.593542
C 3.230424 -0.753746 -0.570729
C -3.624835 0.245265 1.377745
C -1.231982 3.130262 0.442376
C -0.094944 -3.222416 0.557399
C -2.460831 2.910523 -0.416498
C 3.831455 -2.055785 -0.993542
C -4.357591 1.664947 -1.472188
C 4.053505 0.501860 -0.858517
C 4.060357 1.659297 0.149639
H -0.621466 0.789759 -0.432009
H -1.887652 -2.249888 1.163895
H 1.650276 -1.346736 1.446094
H 1.505422 0.402807 1.402150
H 0.130085 1.985704 1.690075
H -1.553872 1.930067 2.241126
H -0.839763 -1.181810 -1.521271
H -0.093816 -1.659137 3.090123
H -0.062744 0.115972 3.200611
H -1.618113 -0.735212 3.013008
H 1.207182 -1.292878 -1.137157
H -3.440576 -0.705094 1.907787
H -3.521031 1.078234 2.092324
H -4.666425 0.224251 1.016307
H -0.363032 3.336800 -0.218500
H -1.367220 4.042873 1.056977
H -0.653303 -4.088156 0.166076
H 0.808170 -3.107326 -0.066605
H 0.233701 -3.450950 1.587534
H -2.847144 3.794593 -0.945679
H 3.169032 -2.907729 -1.189770
H 4.802321 -2.062014 -1.500799
H -5.227791 1.245496 -0.935079
H -4.211165 1.017739 -2.355952
H -4.623619 2.676683 -1.825450
H -2.951971 -2.851582 -1.760082
H 1.526485 0.730106 -2.137498
H 4.628897 2.543591 -0.228554


