%chk=000136419.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136419

0 1
 O    1.371200       1.914600      3.7799999E-02
 O    5.883500      0.4429000      0.1632000    
 O  -3.0000000E-03  -1.918600     -0.2192000    
 O   -6.114300     -0.2205000     -0.2065000    
 C    1.840700     -0.4652000     -4.5100000E-02
 C  -0.5239000      0.4012000     -9.0599999E-02
 C    2.253300      0.8647000      2.9700000E-02
 C   0.3993000     -0.7664000     -0.1223000    
 C   -1.986600      0.2389000     -0.1215000    
 C    2.785200      -1.495000     -5.0600000E-02
 C   3.0200001E-02   1.620500     -1.3300000E-02
 C    3.612300       1.172500      9.9100001E-02
 C    4.556900      0.1461000      9.4099998E-02
 C   -2.665900      0.2298000      -1.341600    
 C   -2.700100      9.3099996E-02   1.070300    
 C    4.143900      -1.184600      1.9600000E-02
 C   -4.051900      7.5599998E-02  -1.369900    
 C   -4.086100     -6.1000001E-02   1.042000    
 C   -4.762100     -6.9899999E-02 -0.1782000    
 C    6.795600     -0.6542000      0.1547000    
 C   -6.778200     -0.3644000       1.048300    
 H    2.483500      -2.537100     -0.1087000    
 H  -0.5416000       2.539900      2.0500001E-02
 H    3.936400       2.208500      0.1574000    
 H   -2.126600      0.3410000      -2.279300    
 H   -2.186500      9.7000003E-02   2.029000    
 H    4.826000      -2.028100      1.1500000E-02
 H   -4.572900      6.9300003E-02  -2.323400    
 H   -4.575200     -0.1692000       2.004100    
 H    7.805400     -0.2353000      0.2158000    
 H    6.739500      -1.217100     -0.7831000    
 H    6.662300      -1.295300       1.032700    
 H   -6.664000      0.5308000       1.668900    
 H   -6.460900      -1.274000       1.569400    
 H   -7.847200     -0.4730000      0.8378000    


%chk=000136419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136419

0 1
O 1.453716 1.813601 -0.648698
O 5.971271 0.363485 -0.254127
O -0.061802 -1.808991 0.817862
O -6.234240 0.171706 -0.115249
C 1.836104 -0.457188 0.206177
C -0.500559 0.410732 -0.096959
C 2.336121 0.778674 -0.287339
C 0.380387 -0.706421 0.349826
C -1.982983 0.300416 -0.084540
C 2.788201 -1.450316 0.554174
C 0.086471 1.583017 -0.529012
C 3.707156 1.041577 -0.434580
C 4.626319 0.030686 -0.079289
C -2.768603 0.958875 -1.076861
C -2.666373 -0.443294 0.913835
C 4.165717 -1.226262 0.418274
C -4.170966 0.902574 -1.058413
C -4.075579 -0.511003 0.943156
C -4.833302 0.168491 -0.042223
C 6.981149 -0.644042 0.092669
C -6.965946 -0.603437 0.890066
H 2.402386 -2.402222 0.933313
H -0.469309 2.478402 -0.814497
H 4.058863 2.003283 -0.814445
H -2.274311 1.493067 -1.896802
H -2.086789 -0.982587 1.665851
H 4.872573 -2.013840 0.692836
H -4.772447 1.399121 -1.825722
H -4.563980 -1.093241 1.730058
H 7.945697 -0.164082 -0.125914
H 6.867289 -1.554257 -0.526197
H 6.929945 -0.910000 1.165607
H -6.778654 -0.217178 1.910955
H -6.697479 -1.676717 0.844732
H -8.027845 -0.475132 0.634077


