%chk=000004272.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004272

0 1
 O    3.473300      -2.499100     -0.1795000    
 O    1.193700       2.935900     -0.5117000    
 O  -0.1130000      -1.097000       1.727700    
 O    1.788400      -3.266600       1.203100    
 O   -3.623300      -2.645900     -0.9022000    
 O   -2.605600     -0.8979000      -1.934400    
 C    2.751000     -0.3495000     -0.4310000    
 C   0.5370000      0.9216000      0.6082000    
 C    1.863400      -1.018700      0.3867000    
 C    2.546400      0.9807000     -0.7475000    
 C    1.422000       1.621800     -0.2181000    
 C   0.7429000     -0.4144000      0.9258000    
 C  -0.6697000       1.635600       1.169000    
 C    3.834500      -1.260500     -0.8414000    
 C    2.318900      -2.390000      0.5506000    
 C   -1.867800       1.526100      0.2668000    
 C    3.504100       1.707900      -1.628500    
 C   -3.085600       1.031600      0.5643000    
 C   -4.236800      0.9302000     -0.4101000    
 C   -4.650200     -0.5197000     -0.6673000    
 C   -3.369200      0.5022000       1.946600    
 C    1.762300       3.901300      0.3684000    
 C   -3.516500      -1.335600      -1.245600    
 H  -0.8579000       1.260100       2.179100    
 H  -0.4625000       2.699600       1.324200    
 H    3.852200      -1.438200      -1.919900    
 H    4.814400     -0.9428000     -0.4753000    
 H   -1.717900       1.902700     -0.7449000    
 H    4.248800       2.232800      -1.022000    
 H    4.029600       1.027600      -2.306500    
 H    2.989400       2.435200      -2.265300    
 H   -5.093300       1.491300     -1.7300000E-02
 H   -3.967000       1.405900      -1.361500    
 H   -4.992700     -0.9877000      0.2626000    
 H   -5.480200     -0.5495000      -1.381500    
 H   -4.434700      0.6035000       2.183400    
 H   -3.108300     -0.5587000       2.012400    
 H   -2.845000       1.050900       2.733300    
 H   0.1973000      -2.012200       1.828900    
 H    1.739500       3.571900       1.412600    
 H    1.186200       4.826600      0.2807000    
 H    2.795500       4.105800      7.2999999E-02
 H   -2.888900      -3.181100      -1.271600    


%chk=000004272-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004272

0 1
O 2.384240 -2.672999 -0.991024
O 1.502627 3.271894 -0.272527
O -0.595799 -0.700717 1.569881
O 0.457077 -3.180076 0.247559
O -2.318366 -2.766000 0.048437
O -1.848704 -1.285988 -1.680546
C 2.341313 -0.292403 -0.712625
C 0.407917 1.294384 0.645519
C 1.312315 -0.886698 0.047773
C 2.482931 1.101414 -0.788705
C 1.476293 1.863889 -0.105341
C 0.374634 -0.119284 0.770823
C -0.793601 2.110393 1.121890
C 3.111184 -1.417219 -1.382059
C 1.296029 -2.328689 -0.162896
C -1.969474 1.692045 0.241693
C 3.582594 1.775357 -1.584012
C -3.093948 1.016344 0.614196
C -4.012245 0.443562 -0.462813
C -4.007138 -1.117949 -0.483970
C -3.482050 0.706568 2.047660
C 2.163942 4.005864 0.824649
C -2.632340 -1.694240 -0.791079
H -1.002915 1.909035 2.186444
H -0.577869 3.185984 0.999116
H 3.094039 -1.371871 -2.485226
H 4.153040 -1.523494 -1.032246
H -1.799534 1.853558 -0.832847
H 4.505374 1.899235 -0.983656
H 3.852356 1.185030 -2.478265
H 3.261085 2.777102 -1.911051
H -5.061033 0.764386 -0.298306
H -3.700022 0.806985 -1.458148
H -4.368731 -1.539595 0.467694
H -4.697005 -1.462480 -1.279562
H -4.551388 0.939790 2.217849
H -3.337222 -0.366202 2.277591
H -2.888704 1.276732 2.780176
H -0.597142 -1.693721 1.463094
H 1.670475 3.799840 1.794053
H 2.065914 5.072268 0.571274
H 3.234330 3.730369 0.893221
H -1.389782 -3.118706 -0.129386


