%chk=000032465.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032465

0 1
 O    1.960300     -2.6600000E-02 -0.1039000    
 O  -0.2010000       1.365900       1.263600    
 O   -2.275500       1.486200       2.801400    
 O   -2.981400      -1.025500      -2.622600    
 O   -5.161200     -0.9821000      -1.199900    
 O    1.154400      -1.990300      -1.009100    
 C    1.227700      0.7322000      -1.059800    
 C  -0.2303000      0.4262000     -0.8959000    
 C    1.570900       2.220700     -0.9251000    
 C   -2.301900      0.5244000      0.5734000    
 C  -0.8657000      0.8172000      0.3921000    
 C   -3.034500     -9.9799998E-02 -0.4374000    
 C  -0.9470000     -0.1716000      -1.854600    
 C   -2.384200     -0.4775000      -1.704200    
 C    3.020500       2.541600      -1.184500    
 C   -2.931900      0.8775000       1.772900    
 C   -4.395100     -0.3713000     -0.2520000    
 C    4.020200       2.631800     -0.2868000    
 C   -4.288300      0.6055000       1.955200    
 C   -5.018300     -1.7600000E-02  0.9449000    
 C    1.829900      -1.382300     -0.1960000    
 C    5.450500       2.957000     -0.6123000    
 C    3.750700       2.413600       1.178200    
 C    2.643900      -1.985100      0.8864000    
 C    3.214300      -3.202800      0.8468000    
 C    4.018500      -3.689800       2.025200    
 C    3.154400      -4.177500     -0.2959000    
 H    1.567900      0.4164000      -2.057300    
 H    1.287600       2.635900      4.4300001E-02
 H   0.9774000       2.790200      -1.653800    
 H  -0.4928000     -0.4560000      -2.799000    
 H    3.268800       2.698800      -2.233100    
 H   -4.783500      0.8761000       2.884100    
 H   -6.074100     -0.2257000       1.097800    
 H    5.591900       3.119500      -1.685800    
 H    6.107600       2.135800     -0.3087000    
 H    5.763200       3.867800     -9.1700003E-02
 H    3.931800       3.341600       1.731000    
 H    4.432100       1.648900       1.568100    
 H    2.741100       2.079300       1.421100    
 H    2.789000      -1.354400       1.760800    
 H   -1.343300       1.627700       2.578400    
 H   -4.634200      -1.187900      -1.986600    
 H    3.595700      -4.623300       2.411000    
 H    4.033300      -2.967900       2.848600    
 H    5.055900      -3.874200       1.727100    
 H    2.775800      -3.741500      -1.222200    
 H    2.519100      -5.028900     -3.1599998E-02
 H    4.157900      -4.555500     -0.5211000    


%chk=000032465-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032465

0 1
O 1.865806 -0.054414 0.128706
O -0.480449 1.506916 1.481853
O -2.611891 1.594781 2.821203
O -3.096438 -1.046980 -2.655097
O -5.269131 -0.976133 -1.359114
O 1.919859 -1.810916 -1.418483
C 1.129579 0.767478 -0.884395
C -0.359513 0.491638 -0.733811
C 1.557502 2.238731 -0.665657
C -2.509963 0.591834 0.600634
C -1.083325 0.894007 0.499450
C -3.198617 -0.065203 -0.463904
C -1.044830 -0.149484 -1.746490
C -2.477932 -0.448538 -1.672248
C 2.988242 2.483984 -1.099763
C -3.228678 0.962218 1.778994
C -4.591899 -0.349456 -0.351504
C 4.078432 2.634525 -0.292705
C -4.629576 0.668467 1.880468
C -5.298060 0.027105 0.838912
C 2.210223 -1.368356 -0.274724
C 5.454299 2.889026 -0.887997
C 4.041191 2.568647 1.223104
C 2.913967 -2.033737 0.836051
C 3.412675 -3.312296 0.834673
C 4.108635 -3.846518 2.071629
C 3.329123 -4.273241 -0.331485
H 1.446496 0.420382 -1.885296
H 1.382989 2.500078 0.389024
H 0.876776 2.870493 -1.272013
H -0.522128 -0.482191 -2.649700
H 3.147741 2.536281 -2.188472
H -5.150957 0.963985 2.795254
H -6.365465 -0.202539 0.901999
H 5.423359 2.945818 -1.989946
H 6.162420 2.085369 -0.603424
H 5.882549 3.837273 -0.505998
H 4.350386 3.537225 1.664815
H 4.761026 1.809757 1.588736
H 3.048614 2.303709 1.617963
H 3.023798 -1.411513 1.731022
H -1.607402 1.712111 2.542655
H -4.569927 -1.158489 -2.121187
H 3.598291 -4.758043 2.439794
H 4.137518 -3.108655 2.890411
H 5.148200 -4.145738 1.832896
H 2.802692 -3.839790 -1.192876
H 2.813206 -5.202352 -0.018178
H 4.348682 -4.574556 -0.644277


