%chk=000031553.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031553

0 1
 O    1.849600     -5.7999998E-02  0.3713000    
 O    2.409000      -2.878500      0.4994000    
 O   -3.266000     -0.2457000      0.8250000    
 O   -2.673300     -0.9779000      -2.735400    
 O    4.973100      -3.722500      4.6399999E-02
 O   -4.983300      0.4216000      -2.842100    
 O   -7.057000       1.473000      -1.682700    
 O    5.856100       2.270600      -1.937500    
 O   -7.002200       1.624000       3.060100    
 O    6.999900       3.458000      0.2997000    
 C    3.074600     -0.5790000      0.9169000    
 C    3.432600      -1.905400      0.2267000    
 C   -2.883000      -1.012500     -0.3276000    
 C   -1.462900      -1.493400     -9.5899999E-02
 C   -2.999300     -0.1838000      -1.608100    
 C   0.8793000      -1.013900      0.2428000    
 C    1.148600      -2.380000      0.3150000    
 C    4.122900      0.4991000      0.7488000    
 C  -0.4246000     -0.5693000      2.2200000E-02
 C    4.741200      -2.506200      0.7326000    
 C   -1.197600      -2.859200      4.3000001E-03
 C   -4.431100      0.2821000      -1.757200    
 C   0.1082000      -3.303900      0.2115000    
 C   -5.131600      0.6027000     -0.4981000    
 C   -4.501600      0.3350000      0.7193000    
 C    4.514900      0.8965000     -0.5293000    
 C    4.696700       1.094600       1.871800    
 C   -6.398000       1.193400     -0.5236000    
 C   -5.126900      0.6920000       1.915000    
 C    5.481700       1.890000     -0.6844000    
 C    5.663500       2.087900       1.716700    
 C   -6.389400       1.285300       1.892600    
 C   -7.025500       1.531000      0.6758000    
 C    6.055900       2.485800      0.4387000    
 C    6.945800       1.566800      -2.530400    
 H    2.896900     -0.7564000       1.987600    
 H    3.478200      -1.797100     -0.8658000    
 H   -3.543200      -1.890500     -0.3880000    
 H   -2.361900      0.7076000      -1.596200    
 H  -0.6222000      0.4981000     -3.4800000E-02
 H    4.678500      -2.740000       1.800300    
 H    5.599000      -1.848800      0.5660000    
 H   -1.997200      -3.590000     -8.1600003E-02
 H   0.3080000      -4.369800      0.2800000    
 H    4.068300      0.4455000      -1.411800    
 H    4.401500      0.7946000       2.873600    
 H   -4.630300      0.4971000       2.862700    
 H   -2.685300     -0.3981000      -3.516000    
 H    6.102700       2.543800       2.600000    
 H   -8.009700       1.993700      0.6735000    
 H    5.064300      -3.515500     -0.8993000    
 H   -7.915200       1.881800      -1.477900    
 H   -6.421600       1.383500       3.802500    
 H    7.283400       3.752500       1.182300    
 H    7.126600       1.988300      -3.522900    
 H    6.702200      0.5052000      -2.639800    
 H    7.853200       1.684100      -1.929700    


%chk=000031553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031553

0 1
O 1.834276 -0.344796 0.548200
O 2.459975 -3.176674 0.314079
O -3.148141 -0.119575 0.683064
O -3.210968 -2.159338 -2.453134
O 5.220203 -3.863611 -0.406887
O -5.534426 -0.897993 -2.624357
O -7.220048 1.140473 -1.731964
O 5.162653 2.776424 -1.554741
O -6.062115 3.307208 2.413469
O 6.987893 3.367751 0.619298
C 3.138090 -0.898386 1.014013
C 3.493340 -2.131380 0.134937
C -2.969900 -1.348090 -0.158911
C -1.540629 -1.808532 0.017481
C -3.343472 -0.988525 -1.616136
C 0.830080 -1.316185 0.328178
C 1.135349 -2.698543 0.223794
C 4.148056 0.223410 0.930687
C -0.499859 -0.873502 0.214578
C 4.836640 -2.777797 0.497044
C -1.236380 -3.191113 -0.055495
C -4.804593 -0.468814 -1.676783
C 0.097824 -3.633017 0.038714
C -5.184151 0.469820 -0.618775
C -4.309667 0.628400 0.510577
C 4.255271 0.997374 -0.248291
C 5.019731 0.490440 2.011455
C -6.364524 1.286892 -0.645156
C -4.568817 1.561470 1.533218
C 5.211233 2.028886 -0.371221
C 5.980516 1.517482 1.905292
C -5.729961 2.357890 1.444878
C -6.635420 2.225171 0.368153
C 6.077885 2.297788 0.731118
C 6.429367 3.160624 -2.213801
H 3.019151 -1.244151 2.061728
H 3.488655 -1.807258 -0.929711
H -3.678171 -2.119269 0.206393
H -2.666941 -0.177901 -1.966954
H -0.712301 0.194511 0.312677
H 4.761034 -3.256793 1.487586
H 5.617095 -1.991356 0.529857
H -2.038089 -3.917127 -0.221764
H 0.356465 -4.693306 -0.036917
H 3.569574 0.840063 -1.086391
H 4.947778 -0.091061 2.937301
H -3.873071 1.629548 2.375633
H -4.043176 -2.180047 -3.014981
H 6.646403 1.733190 2.751622
H -7.528643 2.857988 0.345501
H 5.255814 -3.519154 -1.335433
H -7.974850 1.780153 -1.670097
H -5.378144 3.346392 3.127551
H 7.491649 3.481981 1.463113
H 6.116009 3.650640 -3.147898
H 7.031547 2.260932 -2.445249
H 7.013400 3.850197 -1.585143


