%chk=000127148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127148

0 1
 O    2.703700      -2.128600      0.4273000    
 O   -4.747100      0.5554000     -0.9831000    
 C  -0.1860000      0.3139000      0.4498000    
 C   0.5677000      -1.040500      0.5415000    
 C   -1.684200      0.2180000      0.9332000    
 C    2.019800     -0.9382000      2.9000000E-03
 C    2.804600      0.2831000      0.5492000    
 C   -2.412400     -0.9447000      0.1834000    
 C   0.6068000       1.465200       1.117800    
 C  -0.2060000      -2.187200     -0.1385000    
 C    2.016400       1.096100       1.572300    
 C    3.216500       1.094500     -0.6968000    
 C    2.141400     -0.8501000      -1.533400    
 C   -1.657200      -2.276300      0.3184000    
 C   -2.460600       1.543300      0.6756000    
 C    3.364100      2.5599999E-02  -1.773400    
 C   -2.680600     -0.6230000      -1.305500    
 C   -1.761300     -4.9699999E-02   2.461400    
 C   -2.711000       1.845900     -0.8012000    
 C   -3.425400      0.6945000      -1.500100    
 C    4.490900       1.902700     -0.5008000    
 H  -0.2169000      0.5697000     -0.6163000    
 H   0.6376000      -1.317100       1.602800    
 H    3.719200     -6.8099998E-02   1.048100    
 H   -3.395800      -1.091500      0.6531000    
 H   8.4700003E-02   1.876900       1.985800    
 H   0.6640000       2.299300      0.4064000    
 H   0.2867000      -3.143600      7.5300001E-02
 H  -0.1859000      -2.074800      -1.227500    
 H    2.562900       2.008400       1.838300    
 H    1.939900      0.5113000       2.498500    
 H    2.413300       1.780200     -0.9937000    
 H    1.270900     -0.3598000      -1.982100    
 H    2.266600      -1.829600      -2.006300    
 H   -2.169500      -3.055500     -0.2595000    
 H   -1.684800      -2.614400       1.360900    
 H   -1.941700       2.396400       1.127000    
 H   -3.434300       1.492200       1.182500    
 H    4.283800     -0.5557000      -1.635700    
 H    3.372900      0.4486000      -2.782500    
 H   -1.744000     -0.5819000      -1.871400    
 H   -3.276700      -1.438100      -1.735400    
 H   -1.415700      0.8076000       3.047100    
 H   -2.796300     -0.2404000       2.770000    
 H   -1.170100     -0.9147000       2.771700    
 H   -3.321500       2.754600     -0.8681000    
 H   -1.763600       2.060400      -1.307600    
 H   -3.516500      0.9071000      -2.571000    
 H    2.710300      -2.139400       1.399700    
 H    4.358400       2.657800      0.2803000    
 H    5.332000       1.262700     -0.2134000    
 H    4.764100       2.420000      -1.426500    
 H   -5.208400       1.399100      -1.127200    


%chk=000127148-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127148

0 1
O 2.722842 -2.168426 0.243025
O -4.934051 0.421238 -0.804305
C -0.235828 0.349440 0.326081
C 0.552022 -0.994266 0.456881
C -1.694554 0.227118 0.917176
C 2.013515 -0.886474 -0.060587
C 2.800899 0.319961 0.580277
C -2.453928 -0.975052 0.238601
C 0.574850 1.566098 0.896221
C -0.215833 -2.155310 -0.217982
C 1.928177 1.167640 1.532267
C 3.429373 1.114447 -0.611554
C 2.183860 -0.723775 -1.592397
C -1.646917 -2.295937 0.345447
C -2.523293 1.529172 0.664191
C 3.504857 0.062084 -1.748535
C -2.840667 -0.700718 -1.241777
C -1.661989 0.010828 2.456615
C -2.853654 1.800790 -0.818472
C -3.609839 0.611411 -1.446157
C 4.772984 1.782448 -0.267559
H -0.359772 0.519860 -0.763727
H 0.633296 -1.235688 1.541658
H 3.645372 -0.114186 1.155690
H -3.409037 -1.097503 0.789920
H -0.018233 2.109378 1.655031
H 0.760021 2.298600 0.086762
H 0.348694 -3.095994 -0.078995
H -0.258458 -1.979110 -1.311277
H 2.481884 2.080457 1.832232
H 1.738898 0.601813 2.467083
H 2.712289 1.903045 -0.927035
H 1.344310 -0.135613 -2.010926
H 2.192659 -1.708517 -2.088138
H -2.187064 -3.099731 -0.194281
H -1.592609 -2.617709 1.404463
H -2.002217 2.404915 1.096156
H -3.480154 1.428372 1.215268
H 4.362550 -0.615641 -1.572750
H 3.626788 0.517518 -2.748359
H -1.942480 -0.669642 -1.887819
H -3.468407 -1.535662 -1.607384
H -1.204902 0.873576 2.976958
H -2.693073 -0.097936 2.842859
H -1.101892 -0.892486 2.753886
H -3.462772 2.724434 -0.906509
H -1.928881 1.982333 -1.402850
H -3.759798 0.790542 -2.533848
H 2.716341 -2.291433 1.227843
H 4.672532 2.493189 0.574857
H 5.522773 1.020731 0.020764
H 5.178258 2.343850 -1.130259
H -5.454043 1.259122 -0.901431


