%chk=000155288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155288

0 1
 O   -2.767900      -2.113400      0.5335000    
 O   9.0899996E-02  -5.963000      0.1141000    
 O    1.248200       1.295700       3.829400    
 O    1.505500       3.691200     -0.2915000    
 O   -5.118800       3.391300      0.4409000    
 O   -6.564500       2.403600      -1.717300    
 O    7.000600       2.210400      -1.523500    
 C   -1.061400     -0.4840000     -0.1142000    
 C   -2.427200     -0.6995000      0.5926000    
 C  -0.5467000      -1.883400     -6.4199999E-02
 C   -1.575500      -2.744100      0.2894000    
 C  -0.2010000      0.5661000      0.5499000    
 C   -3.531900      0.1320000     -2.2299999E-02
 C   0.7090000      -2.377900     -0.3778000    
 C   -1.396100      -4.112800      0.3542000    
 C   0.2613000       1.657000     -0.1862000    
 C   0.1308000      0.4448000       1.899500    
 C   0.9163000      -3.757700     -0.3062000    
 C   -3.824000       1.393500      0.4948000    
 C  -0.1302000      -4.619800      5.7900000E-02
 C   -4.257000     -0.3644000      -1.105100    
 C    1.802200      -1.517600     -0.8012000    
 C   0.9249000       1.414000       2.512600    
 C    1.055200       2.626400      0.4267000    
 C   -4.842700       2.159900     -7.1699999E-02
 C   -5.275600      0.4018000      -1.671500    
 C    1.387000       2.504800       1.776200    
 C   -5.568400       1.663900      -1.154900    
 C    2.706100      -1.030600      4.8000000E-02
 C    3.835600     -0.1782000     -0.3660000    
 C    3.774200      0.4870000      -1.579000    
 C    4.935400     -5.9999999E-02  0.4677000    
 C    4.843200       1.293500      -1.970000    
 C    6.004300      0.7464000      7.7000000E-02
 C    5.958200       1.423200      -1.141900    
 H   -1.215500     -0.2324000      -1.172900    
 H   -2.387800     -0.4680000       1.665700    
 H   -2.217500      -4.766600      0.6279000    
 H   4.1999999E-03   1.753200      -1.238200    
 H  -0.2117000     -0.4034000       2.486600    
 H    1.890400      -4.181500     -0.5442000    
 H   -3.256600       1.779700       1.338100    
 H   -4.039400      -1.340000      -1.530900    
 H    1.825600      -1.334100      -1.870100    
 H   -5.835600      1.1000000E-02  -2.516700    
 H    2.006800       3.263700       2.247400    
 H    2.653200      -1.276700       1.106200    
 H  -0.7334000      -6.406800      0.3785000    
 H    1.802900       2.052000       4.086900    
 H    1.187000       3.611400      -1.207100    
 H   -4.517100       3.567600       1.184400    
 H   -6.628900       3.246500      -1.235400    
 H    2.918600      0.4397000      -2.244900    
 H    4.985600     -0.5815000       1.419800    
 H    4.799300       1.823400      -2.917600    
 H    6.867100      0.8392000      0.7311000    
 H    7.684400       2.184600     -0.8323000    


%chk=000155288-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155288

0 1
O -2.808258 -2.069038 0.592239
O 0.322865 -5.872602 0.724171
O 0.912702 1.610924 4.173149
O 0.517575 4.383460 0.204677
O -5.770856 3.244769 -0.088928
O -6.513274 2.232578 -2.479419
O 7.527296 1.953304 -1.691729
C -1.093951 -0.366002 0.103579
C -2.577740 -0.580030 0.620654
C -0.490444 -1.756913 0.303451
C -1.538066 -2.670742 0.549136
C -0.436997 0.806156 0.826500
C -3.644877 0.125642 -0.181821
C 0.842692 -2.231801 0.153839
C -1.344674 -4.051431 0.698197
C -0.261174 2.036629 0.144846
C -0.040134 0.688073 2.177616
C 1.063329 -3.632631 0.317834
C -4.201252 1.333838 0.309259
C -0.006127 -4.510865 0.581303
C -4.062952 -0.368171 -1.442154
C 1.930561 -1.294085 -0.166478
C 0.536638 1.798521 2.833717
C 0.315784 3.136559 0.821929
C -5.146901 2.030306 -0.462315
C -5.021750 0.328865 -2.208616
C 0.721802 3.032172 2.169091
C -5.565311 1.535029 -1.725437
C 3.222842 -1.624839 -0.483064
C 4.314123 -0.688939 -0.786932
C 4.186119 0.731472 -0.690894
C 5.576339 -1.207374 -1.194353
C 5.257413 1.585720 -0.994569
C 6.661111 -0.362791 -1.502838
C 6.498991 1.039701 -1.404094
H -1.132213 -0.129919 -0.979589
H -2.626754 -0.277336 1.684867
H -2.186089 -4.723944 0.894844
H -0.577570 2.129898 -0.902563
H -0.140211 -0.257526 2.718742
H 2.067285 -4.058921 0.253252
H -3.888067 1.723515 1.287165
H -3.656760 -1.316555 -1.807456
H 1.651507 -0.234341 -0.152802
H -5.363493 -0.047416 -3.177235
H 1.170227 3.901958 2.662027
H 3.500436 -2.687645 -0.531420
H -0.484899 -6.411094 0.912779
H 1.343475 2.422949 4.539039
H 0.210339 4.363451 -0.735524
H -5.482218 3.551263 0.803429
H -6.787818 3.043785 -1.975532
H 3.239641 1.175027 -0.362911
H 5.706250 -2.293667 -1.272513
H 5.160368 2.672722 -0.916742
H 7.621960 -0.791875 -1.815812
H 8.352758 1.481306 -1.965393


