%chk=000020101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020101

0 1
 O    6.033700      0.3807000      0.6340000    
 O  -0.9680000       2.097100      0.8980000    
 O   -4.739300     -0.7828000      0.7758000    
 O   -1.366500       2.622500      -1.348100    
 O   -5.080200     -0.1402000      -1.449100    
 C    3.067900     -0.8888000     -0.8656000    
 C    3.775600     -0.5277000      0.4641000    
 C    1.531300      -1.026500     -0.8144000    
 C   0.8454000      5.0400000E-02  5.8499999E-02
 C    3.009600      0.5148000       1.290400    
 C    3.508400      0.2296000      -1.826300    
 C    1.526200      0.1947000       1.430800    
 C    1.099400      -2.429500     -0.3574000    
 C    5.054400      0.1254000     -5.7300001E-02
 C    4.987800      0.4237000      -1.531600    
 C  -0.6444000     -0.2025000      0.2323000    
 C    4.135500      -1.761700       1.293500    
 C  -0.4042000      -2.614500     -0.5456000    
 C   -1.218200      -1.462400     -1.7899999E-02
 C   -1.470800      0.8486000      0.6680000    
 C   -2.599100      -1.641900      0.1637000    
 C   -2.839100      0.6547000      0.8534000    
 C   -3.403300     -0.5912000      0.6020000    
 C  -0.9685000       2.928300     -0.2319000    
 C   -5.511100     -0.5157000     -0.3671000    
 C  -0.4000000       4.270400      0.1223000    
 C   -6.962600     -0.7554000     -7.4500002E-02
 H    3.491300      -1.823500      -1.262200    
 H    1.160400     -0.9113000      -1.844400    
 H   0.9613000      0.9988000     -0.4811000    
 H    3.107500       1.510300      0.8360000    
 H    3.456400      0.6072000       2.288700    
 H    2.964700       1.161800      -1.634700    
 H    3.341500     -4.0800001E-02  -2.874000    
 H    1.395000     -0.7159000       2.027700    
 H    1.061900      0.9982000       2.014300    
 H    1.347700      -2.594000      0.6953000    
 H    1.625200      -3.201900     -0.9310000    
 H    5.314600       1.443500      -1.745700    
 H    5.602500     -0.3035000      -2.069600    
 H    4.703300      -2.487300      0.6999000    
 H    4.765600      -1.490500       2.148800    
 H    3.252200      -2.266900       1.689800    
 H  -0.7080000      -3.544300     -4.9899999E-02
 H  -0.6239000      -2.724100      -1.615200    
 H   -3.050000      -2.610400     -4.3099999E-02
 H   -3.465900       1.477300       1.189100    
 H   -1.011700       4.737300      0.8980000    
 H  -0.4071000       4.912600     -0.7629000    
 H   0.6322000       4.154600      0.4622000    
 H   -7.113800      -1.799200      0.2113000    
 H   -7.552600     -0.5498000     -0.9721000    
 H   -7.293600     -8.5500002E-02  0.7228000    


%chk=000020101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020101

0 1
O 6.073736 0.155495 0.956287
O -0.945060 2.278821 0.728683
O -4.911497 -0.350462 0.318743
O -0.633648 2.969900 -1.493708
O -5.368860 -2.600872 -0.218493
C 3.102817 -0.858295 -0.900685
C 3.747995 -0.606365 0.503390
C 1.553273 -0.970494 -0.954609
C 0.849939 0.134322 -0.113001
C 2.954004 0.497679 1.287819
C 3.673313 0.283548 -1.801840
C 1.440372 0.205814 1.326579
C 1.018286 -2.368489 -0.556956
C 5.119400 0.025414 0.151711
C 5.127632 0.476494 -1.316098
C -0.665653 -0.053107 -0.069546
C 3.946925 -1.859352 1.384018
C -0.483303 -2.478338 -0.885775
C -1.296800 -1.289733 -0.381567
C -1.510394 1.012366 0.334300
C -2.702568 -1.442930 -0.267812
C -2.900007 0.892055 0.452648
C -3.490999 -0.352658 0.152077
C -0.550893 3.203775 -0.274096
C -5.755840 -1.465810 0.124845
C -0.037145 4.463603 0.384691
C -7.183073 -1.048208 0.401302
H 3.516907 -1.816346 -1.284920
H 1.260859 -0.813563 -2.016806
H 1.056397 1.110611 -0.595918
H 3.111674 1.490969 0.817777
H 3.371426 0.565964 2.309843
H 3.092954 1.214703 -1.663352
H 3.611941 0.020079 -2.872006
H 1.241649 -0.742386 1.861613
H 0.922943 1.000683 1.894323
H 1.179353 -2.555139 0.521380
H 1.575619 -3.153305 -1.103887
H 5.526732 1.500927 -1.414905
H 5.826814 -0.189741 -1.861352
H 4.341045 -2.706119 0.792319
H 4.676390 -1.634853 2.183244
H 3.004325 -2.185543 1.856643
H -0.905122 -3.415397 -0.475928
H -0.606705 -2.541405 -1.987376
H -3.167273 -2.401383 -0.503398
H -3.514434 1.736058 0.774267
H -0.823019 4.905203 1.021320
H 0.270451 5.186873 -0.383739
H 0.818382 4.227398 1.041413
H -7.274692 -0.664769 1.432156
H -7.851558 -1.909642 0.262028
H -7.478410 -0.231251 -0.279647


