%chk=000114518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114518

0 1
 O   5.1000002E-03  -1.458100      6.9100000E-02
 O    2.270400      -1.891300      0.3037000    
 O   -2.805000      0.7570000     -0.3061000    
 O   -2.676600      -1.378200      0.4815000    
 C   9.2399999E-02  0.8210000      0.5375000    
 C    1.406100      0.3815000     -0.1509000    
 C  -0.6830000     -0.2393000     -0.2589000    
 C    1.112100      0.4931000      -1.664100    
 C  -0.3633000      5.0500002E-02  -1.739300    
 C    1.347700      -1.120200      0.1128000    
 C   5.9799999E-02  0.6425000       2.064400    
 C  -0.3131000       2.279800      0.2349000    
 C    2.690600       1.041400      0.2935000    
 C   -2.143100     -0.3796000      2.1900000E-02
 H    1.750900     -0.1649000      -2.264600    
 H    1.235500       1.515100      -2.037600    
 H  -0.9889000      0.8310000      -2.183300    
 H  -0.4601000     -0.8499000      -2.357100    
 H   0.7378000       1.350000       2.554400    
 H  -0.9480000      0.8246000       2.454500    
 H   0.3508000     -0.3614000       2.388400    
 H  -0.4193000       2.513200     -0.8266000    
 H   -1.266700       2.528900      0.7136000    
 H   0.4335000       2.972800      0.6396000    
 H    2.881500      0.8703000       1.358100    
 H    3.547400      0.6337000     -0.2545000    
 H    2.667600       2.121500      0.1198000    
 H   -3.767000      0.6850000     -0.1290000    


%chk=000114518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114518

0 1
O 0.002645 -1.487289 0.030728
O 2.276434 -1.951688 0.312774
O -2.983163 0.541686 -0.581819
O -2.640044 -1.176071 0.946255
C 0.102317 0.865108 0.535073
C 1.455610 0.397630 -0.146614
C -0.727201 -0.207114 -0.290251
C 1.116999 0.517222 -1.684254
C -0.390410 0.103716 -1.772649
C 1.382134 -1.119855 0.109851
C 0.054361 0.613408 2.058846
C -0.289974 2.327738 0.248855
C 2.765631 1.042288 0.291361
C -2.175853 -0.384365 0.105584
H 1.772269 -0.133907 -2.287181
H 1.282372 1.556359 -2.017830
H -1.034885 0.906069 -2.163192
H -0.549515 -0.797669 -2.386455
H 0.823572 1.221847 2.567718
H -0.928004 0.908777 2.469483
H 0.217535 -0.445024 2.321111
H -0.228644 2.603221 -0.816199
H -1.325264 2.519267 0.582817
H 0.374836 3.005118 0.815000
H 2.932873 0.924692 1.376277
H 3.618383 0.564459 -0.222334
H 2.774937 2.120093 0.048336
H -3.924851 0.434283 -0.275590


