%chk=000031353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031353

0 1
 O  -0.4783000     -0.3153000      0.3786000    
 O   -1.819400      -2.096400     -0.1939000    
 C   0.6545000      -1.195400      0.4844000    
 C    1.873100     -0.3167000      0.8571000    
 C    2.210000      0.7885000     -0.1497000    
 C   0.3108000      -2.172300       1.615800    
 C   0.8439000      -1.835300     -0.8755000    
 C    3.446900       1.536500      0.2656000    
 C    4.723700       1.252000     -5.3900000E-02
 C   -1.645300     -0.9090000      3.2000002E-02
 C    1.289200      -3.069700      -1.140600    
 C   -2.729900      0.1021000     -4.4199999E-02
 C    5.920700       2.041700      0.3946000    
 C    5.046600      7.5800002E-02 -0.9358000    
 C   -4.024300     -0.2840000      0.2381000    
 C   -2.409200       1.397900     -0.3937000    
 C   -5.042200      0.6671000      0.1680000    
 C   -3.427200       2.349000     -0.4638000    
 C   -4.743700       1.983600     -0.1830000    
 H    1.676100      0.1609000       1.827300    
 H    2.748600     -0.9646000       1.000000    
 H    1.382100       1.506100     -0.2054000    
 H    2.324000      0.3973000      -1.164700    
 H  -0.1402000      -1.648700       2.467400    
 H  -0.3739000      -2.976500       1.332600    
 H    1.218500      -2.669900       1.978800    
 H   0.6287000      -1.206000      -1.738900    
 H    3.266000       2.393400      0.9128000    
 H    1.398900      -3.404400      -2.166500    
 H    1.556200      -3.762300     -0.3510000    
 H    6.468200       2.429100     -0.4706000    
 H    6.595100       1.412100      0.9837000    
 H    5.630700       2.894900       1.016600    
 H    5.828200     -0.5340000     -0.4686000    
 H    4.207100     -0.5961000      -1.125600    
 H    5.422700      0.4263000      -1.902700    
 H   -4.268400      -1.305000      0.5160000    
 H   -1.395400       1.706100     -0.6312000    
 H   -6.067200      0.3828000      0.3873000    
 H   -3.195500       3.373500     -0.7402000    
 H   -5.536400       2.724000     -0.2382000    


%chk=000031353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031353

0 1
O -0.463801 -0.527700 0.458706
O -2.114654 -2.139664 0.032509
C 0.655588 -1.556654 0.614225
C 1.890205 -0.651558 0.889867
C 2.282400 0.315098 -0.259301
C 0.357160 -2.448204 1.832423
C 0.799751 -2.305515 -0.703282
C 3.336313 1.307332 0.189150
C 4.618905 1.439016 -0.258679
C -1.764325 -0.940672 0.163940
C 1.116090 -3.613959 -0.844817
C -2.689584 0.228753 0.025288
C 5.541529 2.500261 0.322208
C 5.248958 0.584231 -1.344933
C -4.048086 -0.035603 -0.289314
C -2.251925 1.568332 0.193725
C -4.960528 1.029237 -0.434875
C -3.168773 2.631201 0.048074
C -4.522724 2.364977 -0.266565
H 1.675345 -0.065277 1.805023
H 2.746127 -1.314412 1.118658
H 1.371581 0.861918 -0.575941
H 2.628361 -0.264403 -1.133118
H 0.160323 -1.818206 2.717551
H -0.514864 -3.092863 1.644819
H 1.232776 -3.083094 2.057807
H 0.674279 -1.678478 -1.597945
H 3.008151 1.992321 0.988235
H 1.242406 -4.058732 -1.837793
H 1.237008 -4.286083 0.012137
H 5.898016 3.192531 -0.466756
H 6.445255 2.040139 0.769943
H 5.039908 3.099341 1.102168
H 6.169070 0.094287 -0.968481
H 4.577357 -0.203222 -1.723346
H 5.556125 1.211430 -2.205737
H -4.361415 -1.077367 -0.414806
H -1.203642 1.760793 0.437969
H -6.008173 0.821897 -0.678525
H -2.830500 3.664979 0.178681
H -5.231994 3.192692 -0.379892


