%chk=000020242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020242

0 1
 O    4.983000     -0.1027000     -0.8318000    
 O   -1.999500       2.129100      -1.027500    
 O   -4.970500      -1.574300      -1.013900    
 O    5.409400      -2.373100     -0.8438000    
 O   -2.826700       2.731900       1.077800    
 O   -5.758200     -0.8640000       1.072900    
 C    3.093500      0.9926000      0.3463000    
 C    2.277100      0.5473000       1.586700    
 C   0.8932000     -0.1138000       1.319200    
 C   0.1046000      0.6683000      0.2426000    
 C    3.823400     -0.3114000     -4.2199999E-02
 C    2.229700       1.567700     -0.7888000    
 C    3.263700     -0.3513000       2.348700    
 C   0.9290000      0.8194000      -1.046700    
 C    4.154600      -1.004200       1.286000    
 C   0.8784000      -1.617100      0.9832000    
 C    4.110800       2.097000      0.7373000    
 C   -1.245000      4.4900000E-02 -6.9499999E-02
 C  -0.5524000      -2.157800      0.9951000    
 C   -1.534100      -1.292700      0.2515000    
 C   -2.226000      0.8200000     -0.7127000    
 C   -2.794500      -1.823600     -6.7100003E-02
 C    5.690100      -1.226200      -1.165000    
 C   -3.470800      0.2787000      -1.031900    
 C   -3.754900      -1.043800     -0.7095000    
 C    6.881100     -0.8549000      -1.995300    
 C   -2.353000       3.028800     -1.0900000E-02
 C   -5.934700      -1.416800     -4.8000002E-03
 C   -2.067400       4.433800     -0.4517000    
 C   -7.233600      -2.031800     -0.4343000    
 H    2.065100       1.432200       2.203700    
 H   0.3396000     -2.0099999E-02   2.267100    
 H  -7.1000002E-02   1.667800      0.6626000    
 H    3.151500     -0.9487000     -0.6257000    
 H    2.811100       1.610400      -1.718500    
 H    1.963800       2.606700     -0.5498000    
 H    2.780800      -1.081400       3.004300    
 H    3.890100      0.2675000       3.003700    
 H   0.3666000       1.376000      -1.806100    
 H    1.137600     -0.1569000      -1.498900    
 H    5.209800     -0.9037000       1.564400    
 H    3.936400      -2.076300       1.226400    
 H    1.456300      -2.201600       1.704700    
 H    1.315200      -1.809700     -1.9999999E-04
 H    4.842100       1.751600       1.474900    
 H    4.672500       2.441700     -0.1386000    
 H    3.599200       2.967400       1.163700    
 H  -0.8952000      -2.242200       2.034200    
 H  -0.5480000      -3.167900      0.5677000    
 H   -3.028400      -2.853900      0.1931000    
 H   -4.220300      0.8901000      -1.528600    
 H    7.536500     -0.1912000      -1.425900    
 H    6.552300     -0.3722000      -2.919000    
 H    7.439700      -1.759000      -2.253600    
 H   -1.001000       4.543500     -0.6636000    
 H   -2.337500       5.127500      0.3495000    
 H   -2.663100       4.671500      -1.336300    
 H   -7.594000      -1.537800      -1.340000    
 H   -7.977500      -1.898100      0.3563000    
 H   -7.095500      -3.101800     -0.6075000    


%chk=000020242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020242

0 1
O 5.044102 -0.457109 -0.550622
O -1.909503 2.251909 -1.036614
O -5.199344 -1.195757 -0.674488
O 3.913846 -1.208873 -2.458556
O -2.096223 3.322497 1.045176
O -5.147657 -3.444022 0.034252
C 3.164718 0.898907 0.490798
C 2.314232 0.641186 1.784854
C 0.893548 0.019143 1.564992
C 0.142096 0.763644 0.425317
C 3.790993 -0.513259 0.261033
C 2.329271 1.427752 -0.705450
C 3.250706 -0.243804 2.666094
C 0.970651 0.727267 -0.895098
C 4.126119 -1.069577 1.667865
C 0.794166 -1.510959 1.328343
C 4.284364 1.930982 0.794808
C -1.261058 0.206819 0.207426
C -0.678387 -1.953096 1.460434
C -1.642224 -1.090290 0.649361
C -2.238448 0.957322 -0.495285
C -2.935518 -1.605796 0.377422
C 4.971988 -0.844534 -1.893816
C -3.523128 0.477251 -0.776605
C -3.861056 -0.819430 -0.336537
C 6.341281 -0.766877 -2.532669
C -1.864808 3.378567 -0.176819
C -5.754553 -2.476745 -0.469135
C -1.514996 4.606344 -0.986062
C -7.186044 -2.470731 -0.957446
H 2.136436 1.618758 2.277920
H 0.343872 0.209089 2.513312
H 0.054271 1.827618 0.726093
H 3.086902 -1.160082 -0.288603
H 2.926932 1.345118 -1.633545
H 2.148912 2.511283 -0.540335
H 2.679257 -0.890356 3.355638
H 3.892024 0.397771 3.295728
H 0.401234 1.231193 -1.697247
H 1.116415 -0.316449 -1.229913
H 5.204600 -0.939923 1.865668
H 3.914440 -2.151589 1.722058
H 1.403960 -2.065536 2.064579
H 1.167549 -1.786594 0.325006
H 4.981247 1.584152 1.577220
H 4.883122 2.135545 -0.110221
H 3.834807 2.883328 1.132304
H -0.975995 -1.896135 2.528635
H -0.794906 -3.012676 1.164453
H -3.206463 -2.606819 0.715370
H -4.246683 1.085429 -1.323639
H 7.019303 -1.498835 -2.059137
H 6.782106 0.232595 -2.376029
H 6.263455 -0.980621 -3.607927
H -0.533222 4.469765 -1.472747
H -1.489703 5.489958 -0.333384
H -2.256642 4.754594 -1.789929
H -7.763630 -1.688522 -0.435389
H -7.640981 -3.455029 -0.779512
H -7.216756 -2.234362 -2.035502


