%chk=000100625.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100625

0 1
 O  -0.1193000     -0.5434000     -0.3571000    
 O    1.584300      -2.648100     -0.4432000    
 O   -1.500600       2.882300     -6.5099999E-02
 O    4.298300      -2.273600     -0.1529000    
 O    5.312300      0.2583000      0.2313000    
 O    3.648200       2.415900      0.3279000    
 O    1.198600       3.269000      0.2065000    
 O   -5.250900     -0.9736000       1.504100    
 O   -6.339100      -1.082100      -1.051300    
 C    1.732400      0.9848000     -1.2000000E-02
 C    1.219800     -0.2950000     -0.2061000    
 C  -0.9996000      0.5264000     -0.3231000    
 C    2.080600      -1.392100     -0.2538000    
 C    3.108200       1.178600      0.1359000    
 C   0.8026000       2.123300      3.5500001E-02
 C  -0.6377000       1.810900     -0.1320000    
 C    3.454800      -1.202800     -0.1068000    
 C    3.967500      8.0200002E-02  8.7700002E-02
 C   -2.396900      0.1052000     -0.5101000    
 C   -3.176000     -0.2399000      0.5947000    
 C   -2.943700      5.0099999E-02  -1.792500    
 C   -4.500500     -0.6392000      0.4173000    
 C   -4.268200     -0.3493000      -1.970000    
 C   -5.046700     -0.6940000     -0.8650000    
 C   0.6612000      -3.132200      0.5292000    
 C   -1.920100       3.108900       1.267100    
 C    4.583500      -2.925600       1.082300    
 C    6.064400      0.4877000     -0.9577000    
 C   -4.617500     -0.8908000       2.779300    
 H   -2.697000     -0.1885000       1.567300    
 H   -2.349100      0.3152000      -2.663500    
 H   -4.687700     -0.3900000      -2.971600    
 H    2.957600       3.095500      0.3369000    
 H   0.7742000      -2.633000       1.498100    
 H   0.8533000      -4.199600      0.6730000    
 H  -0.3624000      -3.020700      0.1605000    
 H   -1.069600       3.322300       1.924000    
 H   -2.495900       2.270100       1.666500    
 H   -2.571100       3.988500       1.270500    
 H    5.068900      -2.235300       1.779400    
 H    5.266300      -3.755600      0.8814000    
 H    3.668400      -3.326700       1.528700    
 H    7.114400      0.6138000     -0.6796000    
 H    5.724300       1.398600      -1.460300    
 H    5.983200     -0.3674000      -1.636100    
 H   -6.726400      -1.282500     -0.1815000    
 H   -4.321900      0.1367000       3.017800    
 H   -3.783300      -1.595800       2.862200    
 H   -5.359700      -1.188800       3.527200    


%chk=000100625-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100625

0 1
O -0.517665 -0.253990 0.073236
O 0.743756 -2.511939 0.803968
O -1.418510 3.178652 -0.942414
O 3.618043 -2.573970 0.848330
O 5.097790 -0.238622 0.321561
O 3.686359 2.174919 -0.383526
O 1.460010 3.282475 -0.857794
O -5.013673 -2.332526 0.590532
O -6.810615 -0.525525 -0.205875
C 1.566966 0.985509 -0.164680
C 0.874501 -0.208293 0.148780
C -1.281255 0.875624 -0.260274
C 1.542792 -1.388068 0.552703
C 2.998862 1.009668 -0.098039
C 0.822295 2.181983 -0.542725
C -0.634642 2.089087 -0.549894
C 2.969338 -1.359890 0.587827
C 3.697207 -0.171811 0.250613
C -2.714994 0.554174 -0.260783
C -3.115275 -0.749769 0.177375
C -3.716539 1.473910 -0.688430
C -4.469520 -1.094827 0.190346
C -5.078802 1.115140 -0.667105
C -5.467252 -0.163011 -0.228158
C 1.086284 -3.367409 1.957590
C -1.134065 4.495827 -0.313054
C 4.629049 -2.599374 1.934124
C 5.853227 0.260997 -0.853811
C -4.077399 -3.378287 1.012019
H -2.345177 -1.458848 0.488671
H -3.414870 2.458262 -1.045887
H -5.852095 1.814639 -0.996682
H 2.957079 2.879885 -0.643529
H 1.948932 -4.010126 1.723105
H 0.184433 -3.975277 2.133038
H 1.305340 -2.754210 2.853467
H -0.112453 4.820206 -0.561046
H -1.266552 4.428374 0.783149
H -1.885818 5.173671 -0.744574
H 5.412603 -1.849297 1.748975
H 5.044591 -3.618029 1.909007
H 4.137932 -2.413136 2.909283
H 6.909166 0.069285 -0.610014
H 5.668334 1.336780 -0.998243
H 5.563114 -0.304909 -1.758869
H -6.878144 -1.462801 0.122013
H -3.504510 -3.055805 1.902098
H -3.379554 -3.634605 0.192957
H -4.702224 -4.248017 1.261640


