%chk=000026719.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026719

0 1
 O   0.8094000      -2.061900      5.7799999E-02
 O    3.532300      -2.007100     -4.1600000E-02
 O    4.874100      0.4014000     -0.2425000    
 O   -5.007600      -1.045100      -1.160500    
 O   -4.399600      -1.116400       1.537600    
 C   0.7017000      0.3444000     -0.1263000    
 C  -0.7952000      0.2848000     -0.1381000    
 C   -1.596600      0.9773000      0.8807000    
 C    1.398100       1.573300     -0.1848000    
 C  -0.9408000       2.168000       1.561700    
 C    1.438700     -0.8534000     -6.4900003E-02
 C   0.7158000       2.876700     -0.1936000    
 C  -0.3420000       3.146000      0.5868000    
 C    2.801000       1.570300     -0.2414000    
 C    2.833000     -0.8378000     -0.1016000    
 C   -1.321900     -0.3769000      -1.187500    
 C    3.512700      0.3718000     -0.1986000    
 C   -2.820900      0.6069000       1.293700    
 C   -2.708100     -0.5848000      -1.523400    
 C   -3.669700     -0.4902000      0.7730000    
 C   -3.752100     -0.6975000     -0.6926000    
 C   0.5698000      -2.530000       1.380700    
 C    4.436500      -2.164500       1.049100    
 C    5.482500      0.3358000      -1.530900    
 C   -5.751200      0.1090000      -1.493000    
 H   -1.666200       2.717800       2.175600    
 H  -0.1718000       1.819900       2.264300    
 H    1.119000       3.646600     -0.8445000    
 H  -0.7863000       4.136900      0.5385000    
 H    3.348600       2.509400     -0.3011000    
 H  -0.6582000     -0.8077000      -1.938700    
 H   -3.279900       1.134900       2.128100    
 H   -2.880700     -0.7682000      -2.583200    
 H  -1.4300000E-02  -1.804300       1.955100    
 H    1.513600      -2.737400       1.893800    
 H  -1.2000001E-03  -3.460300       1.315800    
 H    4.141700      -1.571600       1.922000    
 H    5.451100      -1.902900      0.7360000    
 H    4.434000      -3.219600       1.338400    
 H    5.186600       1.196900      -2.138300    
 H    5.210100     -0.5944000      -2.039300    
 H    6.567600      0.3570000      -1.398600    
 H   -5.270800      0.6757000      -2.298400    
 H   -6.735600     -0.2098000      -1.848400    
 H   -5.902000      0.7529000     -0.6192000    


%chk=000026719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026719

0 1
O 0.720765 -1.912686 0.310359
O 3.580043 -1.945000 0.035563
O 4.949655 0.560882 -0.370791
O -4.919380 -0.845311 -1.660305
O -5.290733 0.452454 0.869824
C 0.697554 0.494700 0.112115
C -0.802885 0.413036 0.016418
C -1.652705 1.232874 0.857176
C 1.420480 1.732489 0.005660
C -0.927994 2.240384 1.753780
C 1.457257 -0.726694 0.169528
C 0.765238 3.052245 0.077167
C -0.303265 3.316023 0.881513
C 2.828996 1.716996 -0.178241
C 2.874881 -0.719716 0.042837
C -1.298115 -0.466552 -0.965057
C 3.546863 0.515453 -0.183114
C -3.047234 1.220694 0.942384
C -2.619769 -0.751755 -1.394546
C -4.117267 0.439737 0.329685
C -3.867332 -0.337781 -0.911173
C 1.208738 -2.980103 1.205818
C 4.601955 -2.086704 1.103423
C 5.415043 -0.059180 -1.635101
C -6.283739 -0.264339 -1.612825
H -1.626541 2.683881 2.481116
H -0.130889 1.719215 2.321707
H 1.225100 3.866597 -0.498171
H -0.742065 4.320857 0.902218
H 3.378491 2.654137 -0.311494
H -0.534036 -1.001139 -1.539937
H -3.476193 1.888464 1.703738
H -2.697017 -1.414180 -2.266790
H 1.599913 -2.554365 2.149882
H 1.988164 -3.580313 0.711668
H 0.316967 -3.590954 1.416780
H 4.111861 -2.118415 2.095631
H 5.322379 -1.251614 1.065798
H 5.105106 -3.044560 0.901268
H 5.002533 0.492664 -2.500642
H 5.114662 -1.121172 -1.687864
H 6.511694 0.032369 -1.619702
H -6.251050 0.805147 -1.887866
H -6.835242 -0.837870 -2.373421
H -6.715687 -0.368995 -0.608316


