%chk=000100080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100080

0 1
 O    2.831200      -1.647400      0.5527000    
 O    3.257400      0.5499000      0.7071000    
 C   0.1074000      -1.132900     -0.2045000    
 C   0.9289000     -9.2799999E-02  0.5863000    
 C   0.5590000      -2.536800      0.2009000    
 C    2.051300      -2.709300     -3.7799999E-02
 C   -1.397000     -0.9752000     -2.2100000E-02
 C    2.432500     -0.3520000      0.5724000    
 C   0.6179000       1.328200      0.1285000    
 C    2.426600      -2.819300      -1.512500    
 C   -2.254200      -1.287500      -1.071300    
 C   -1.899300     -0.5201000       1.192000    
 C   0.5538000       2.355200       1.064100    
 C   0.4003000       1.585500      -1.220800    
 C   -3.631500      -1.142900     -0.9042000    
 C   -3.276600     -0.3757000       1.359100    
 C   0.2690000       3.655000      0.6453000    
 C   0.1158000       2.885200      -1.639700    
 C   -4.142700     -0.6872000      0.3110000    
 C   5.0099999E-02   3.920000     -0.7066000    
 H   0.3178000      -1.047200      -1.275500    
 H   0.6934000     -0.1717000       1.655400    
 H   0.3514000      -2.685900       1.269300    
 H  -5.2000000E-03  -3.307600     -0.3384000    
 H    2.368500      -3.633700      0.4590000    
 H    1.858600      -3.610900      -2.010300    
 H    2.266000      -1.877500      -2.046400    
 H    3.494100      -3.046000      -1.610700    
 H   -1.867900      -1.645000      -2.021700    
 H   -1.275100     -0.2967000       2.048600    
 H   0.7238000       2.161900       2.119600    
 H   0.4790000      0.8253000      -1.989000    
 H   -4.306000      -1.386100      -1.719900    
 H   -3.675800     -2.8100001E-02   2.307500    
 H   0.2186000       4.460800       1.371600    
 H  -4.6000000E-02   3.093900      -2.693300    
 H   -5.215200     -0.5766000      0.4417000    
 H  -0.1693000       4.932400      -1.032900    


%chk=000100080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100080

0 1
O 2.900284 -1.629156 0.436923
O 3.208533 0.466010 1.242844
C 0.035114 -1.133804 -0.113556
C 0.896753 -0.041718 0.616885
C 0.581303 -2.541433 0.220076
C 2.049592 -2.694573 -0.200526
C -1.448457 -0.996114 0.230655
C 2.404791 -0.360546 0.769205
C 0.697453 1.334147 -0.025628
C 2.313249 -2.681386 -1.714140
C -2.385967 -0.610313 -0.758838
C -1.921097 -1.248704 1.545963
C -0.230286 2.253021 0.519813
C 1.387999 1.684817 -1.213768
C -3.759324 -0.481696 -0.449692
C -3.291454 -1.120725 1.860572
C -0.464970 3.498851 -0.105176
C 1.157662 2.928225 -1.840050
C -4.217785 -0.737317 0.862382
C 0.227659 3.840535 -1.288378
H 0.141139 -0.967778 -1.202292
H 0.536924 0.019819 1.664440
H 0.496710 -2.732739 1.306947
H -0.024327 -3.311744 -0.292651
H 2.468433 -3.621683 0.230262
H 1.826133 -3.551070 -2.192279
H 1.934585 -1.763142 -2.196230
H 3.398011 -2.743415 -1.903761
H -2.035182 -0.399127 -1.776539
H -1.219332 -1.548310 2.335087
H -0.772921 1.992479 1.436435
H 2.129664 0.996332 -1.639090
H -4.467394 -0.178518 -1.229076
H -3.637820 -1.320019 2.881084
H -1.183615 4.200530 0.332851
H 1.708222 3.190965 -2.750487
H -5.281465 -0.637766 1.105596
H 0.051780 4.808265 -1.771360


