%chk=000047885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047885

0 1
 O    4.447800       2.480600      7.9999998E-04
 C   0.2553000     -9.0000004E-02 -1.9999999E-04
 C  -0.3490000      -1.371100       0.000000    
 C  -0.6201000       1.026200     -1.9999999E-04
 C   -1.748700      -1.503600      9.9999997E-05
 C   -2.022400      0.8990000     -9.9999997E-05
 C   -2.594100     -0.3860000      9.9999997E-05
 C    1.692900      8.7000001E-03 -1.9999999E-04
 C    2.469100      -1.179700     -9.9999997E-05
 C   0.4488000      -2.518600      1.9999999E-04
 C    1.836300      -2.424700      1.9999999E-04
 C  -0.1443000       2.450900     -1.9999999E-04
 C   -2.366900      -2.877700     -1.9999999E-04
 C   -2.865400       2.023900     -1.9999999E-04
 C   -3.993100     -0.5201000      1.9999999E-04
 C    2.407600       1.233100     -3.9999999E-04
 C    3.873200      -1.118300       0.000000    
 C   -4.252800       1.877200      1.9999999E-04
 C   -4.816400      0.6057000      1.9999999E-04
 C    3.804500       1.280500     -3.0000001E-04
 C    4.537500      0.1041000       0.000000    
 H   5.2800000E-02  -3.528100     -3.1800002E-02
 H    2.419600      -3.343800     -6.5000001E-03
 H   0.4087000       2.643300      0.9262000    
 H   0.4078000       2.643800     -0.9271000    
 H  -0.8403000       3.281100      6.9999998E-04
 H   -3.360400      -2.930800      0.4474000    
 H   -2.418500      -3.269700      -1.020900    
 H   -1.814500      -3.579700      0.6321000    
 H   -2.569200       3.061600     -1.1000000E-03
 H   -4.510900      -1.471500     -3.2299999E-02
 H    2.008400       2.224900     -6.9999998E-04
 H    4.466700      -2.030900      3.0000001E-04
 H   -4.894100       2.753900     -1.6000000E-03
 H   -5.896300      0.4902000     -7.1000000E-03
 H    5.623700      0.1214000      3.0000001E-04
 H    5.407900       2.324500      1.0000000E-03


%chk=000047885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047885

0 1
O 4.389257 2.479746 -0.803360
C 0.234541 -0.053309 0.098386
C -0.378411 -1.382304 0.064873
C -0.611637 1.083723 0.244503
C -1.786900 -1.551472 -0.048173
C -2.033384 0.927429 0.075552
C -2.626195 -0.391012 -0.116858
C 1.710908 0.026068 0.000460
C 2.501581 -1.167750 0.194667
C 0.475305 -2.549551 0.217641
C 1.841792 -2.444681 0.343274
C -0.097809 2.450003 0.685923
C -2.366962 -2.959145 -0.078068
C -2.905162 2.074834 0.064371
C -4.050713 -0.470858 -0.324270
C 2.407181 1.213872 -0.366696
C 3.923399 -1.098209 0.148569
C -4.278159 1.955930 -0.140023
C -4.858326 0.663938 -0.337424
C 3.810573 1.251152 -0.428896
C 4.590084 0.099667 -0.139729
H 0.011447 -3.537940 0.260798
H 2.458372 -3.338159 0.497960
H 0.878816 2.370994 1.185736
H 0.007181 3.172481 -0.147779
H -0.799047 2.895540 1.412786
H -3.454708 -2.966800 -0.231004
H -1.919753 -3.565208 -0.887668
H -2.174403 -3.490893 0.873510
H -2.476832 3.073303 0.186139
H -4.520386 -1.444548 -0.485940
H 1.877876 2.118448 -0.663350
H 4.500549 -2.014227 0.319742
H -4.911996 2.849292 -0.160781
H -5.936984 0.568706 -0.504351
H 5.686259 0.138780 -0.173999
H 5.373845 2.402461 -0.857721


