%chk=000066437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066437

0 1
 O    5.325500      0.9686000      0.3451000    
 O   -5.633600      0.5532000      0.3593000    
 C    2.904000      0.5331000      0.1773000    
 C    2.165400     -0.6870000     -0.4086000    
 C   0.6890000     -0.7119000     -1.3900000E-02
 C  -6.9999998E-04  0.5657000     -0.5818000    
 C    4.326300      0.2312000     -0.3320000    
 C    2.266500       1.801000     -0.4038000    
 C    3.061600      -1.861800     -2.6799999E-02
 C   0.7490000       1.851800     -0.1412000    
 C    4.486900      -1.285800     -0.1114000    
 C  -4.0199999E-02  -1.947900     -0.5439000    
 C    2.892900      0.6181000       1.725200    
 C   -1.499500      0.5596000     -0.2936000    
 C   -1.464100      -1.982900      3.1999999E-03
 C   -2.180200     -0.6559000     -6.1799999E-02
 C   -2.254100       1.745200     -0.3397000    
 C   -3.567300     -0.6492000      0.1684000    
 C   -3.633000       1.736500     -0.1185000    
 C   -4.289400      0.5403000      0.1404000    
 C   -4.304900      -1.921600      0.4580000    
 H    2.200600     -0.6234000      -1.509300    
 H   0.6020000     -0.7219000       1.080200    
 H   7.7000000E-02  0.5248000      -1.679500    
 H    4.408200      0.4562000      -1.403000    
 H    2.430100       1.838000      -1.488800    
 H    2.742100       2.698700      9.2000002E-03
 H    2.935800      -2.711400     -0.7055000    
 H    2.851200      -2.214600      0.9890000    
 H   0.5593000       2.045800      0.9214000    
 H   0.3599000       2.721400     -0.6834000    
 H    5.053100      -1.512700      0.7989000    
 H    5.037900      -1.730200     -0.9479000    
 H   0.4744000      -2.869400     -0.2498000    
 H  -6.1200000E-02  -1.930400      -1.641300    
 H    3.438600       1.505700       2.066300    
 H    1.883300      0.6919000       2.137700    
 H    3.366200     -0.2497000       2.195500    
 H   -1.426000      -2.299900       1.053400    
 H   -2.011400      -2.746600     -0.5611000    
 H    6.187900      0.6543000      2.4300000E-02
 H   -1.786700       2.701000     -0.5562000    
 H   -4.179900       2.675000     -0.1559000    
 H   -3.802700      -2.495400       1.243900    
 H   -5.325000      -1.755700      0.8184000    
 H   -4.374900      -2.531400     -0.4487000    
 H   -5.957200       1.468400      0.2996000    


%chk=000066437-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066437

0 1
O 5.346460 1.094089 0.343628
O -5.700199 0.559132 0.395859
C 2.924526 0.543175 0.167125
C 2.186441 -0.705712 -0.412408
C 0.696783 -0.734946 -0.032389
C 0.011009 0.545917 -0.601738
C 4.360914 0.237483 -0.331869
C 2.270113 1.812301 -0.424197
C 3.104875 -1.901811 -0.036849
C 0.740683 1.846705 -0.151896
C 4.550751 -1.291902 -0.060910
C -0.051549 -1.972036 -0.565521
C 2.919977 0.600248 1.717914
C -1.501547 0.547576 -0.313516
C -1.494144 -2.013713 -0.022964
C -2.213541 -0.666532 -0.062547
C -2.232233 1.761013 -0.329141
C -3.618792 -0.654764 0.183340
C -3.621329 1.791702 -0.101946
C -4.305886 0.584407 0.156135
C -4.386761 -1.932283 0.472293
H 2.226598 -0.604274 -1.523121
H 0.605100 -0.730957 1.074879
H 0.137553 0.482455 -1.708924
H 4.400895 0.428106 -1.429072
H 2.442652 1.828194 -1.521589
H 2.744270 2.723332 -0.011059
H 2.996163 -2.742237 -0.745084
H 2.854629 -2.289677 0.968907
H 0.544531 2.020286 0.924332
H 0.319586 2.718950 -0.687105
H 5.052347 -1.417324 0.916795
H 5.189471 -1.768973 -0.827080
H 0.475452 -2.902249 -0.278934
H -0.063209 -1.935236 -1.674801
H 3.603139 1.398762 2.053300
H 1.914026 0.810407 2.119133
H 3.268589 -0.344953 2.170366
H -1.475188 -2.373115 1.028644
H -2.083804 -2.767649 -0.580111
H 6.247806 0.885673 -0.007866
H -1.716056 2.705902 -0.522083
H -4.163417 2.746666 -0.122049
H -3.924815 -2.503055 1.299715
H -5.427957 -1.704563 0.744824
H -4.404933 -2.602495 -0.409541
H -6.067278 1.476778 0.366421


