%chk=000182244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182244

0 1
O -0.087581 -2.690812 -0.462813
O 3.023238 -2.015042 1.012658
O -1.357995 1.769362 -1.662548
O -3.949493 2.433092 -1.584452
O 0.616107 2.661492 0.659747
O 3.332408 2.436775 -0.351529
O 0.647933 -3.206882 -2.445517
C 0.906362 -0.816914 0.880545
C -1.308636 0.523769 0.435752
C 0.199502 0.331121 0.109807
C -2.044914 -0.851105 0.320640
C 0.057102 -2.109030 0.867299
C 2.283113 -1.102118 0.176374
C -1.403218 -1.873949 1.268776
C -3.573765 -0.696543 0.535366
C -1.944343 1.388383 -0.676061
C 1.180944 -0.452016 2.346765
C 1.036954 1.596868 0.273755
C -1.549849 1.212412 1.779232
C -4.162902 0.269843 -0.513394
C 2.165788 -1.878220 -1.143450
C 3.082150 0.168249 -0.057036
C -3.451562 1.629940 -0.520769
C 2.492779 1.388160 -0.065869
C -4.296187 -2.042803 0.434323
C 0.902110 -2.632522 -1.413435
C 4.537688 0.014578 -0.332349
C 2.755884 3.763861 -0.493707
H 0.237333 0.074467 -0.991841
H -1.889363 -1.239381 -0.724692
H 0.548231 -2.904696 1.473782
H -1.471230 -1.553755 2.323319
H -1.949247 -2.840239 1.201160
H -3.752904 -0.273065 1.555335
H 1.585455 -1.304576 2.907613
H 1.896325 0.373469 2.445713
H 0.259121 -0.130934 2.861722
H -0.996039 0.717094 2.592088
H -1.207941 2.260819 1.761162
H -2.607175 1.207658 2.069078
H -5.243065 0.431226 -0.325838
H -4.119923 -0.178458 -1.526190
H 3.014107 -2.614315 -1.177053
H 2.365532 -1.208531 -2.013142
H -3.685032 2.234661 0.386600
H -4.088144 -2.549223 -0.517160
H -3.996619 -2.727035 1.236546
H -5.383353 -1.920264 0.505537
H 3.493714 -1.541906 1.730964
H 4.769425 0.287554 -1.375050
H 4.899589 -1.008869 -0.166021
H 5.134200 0.696473 0.295151
H -3.402093 2.315032 -2.402225
H 3.632784 4.344412 -0.804034
H 2.359527 4.107441 0.468476
H 1.978368 3.767593 -1.262608


%chk=000182244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182244

0 1
O -0.018028 -2.795602 -0.488095
O 3.060895 -2.118868 0.860382
O -1.356360 1.674930 -1.692726
O -3.916134 2.418803 -1.687569
O 0.505454 2.753423 0.482365
O 3.320717 2.575238 -0.048610
O 1.024148 -3.592723 -2.348941
C 0.914931 -0.840895 0.897876
C -1.331899 0.541709 0.508473
C 0.178598 0.330401 0.162921
C -2.082084 -0.858949 0.366853
C 0.067073 -2.139986 0.861618
C 2.278853 -1.075723 0.148358
C -1.403415 -1.927064 1.254386
C -3.615854 -0.703173 0.586060
C -1.961052 1.379594 -0.621362
C 1.208673 -0.528223 2.394345
C 1.016987 1.618359 0.247519
C -1.603428 1.177451 1.905702
C -4.194804 0.281666 -0.466609
C 2.090009 -1.691928 -1.260620
C 3.092474 0.213820 0.007874
C -3.465743 1.659198 -0.534758
C 2.483594 1.453780 0.022529
C -4.366529 -2.053070 0.484025
C 1.042105 -2.788725 -1.398302
C 4.585205 0.088302 -0.184882
C 2.869724 3.768952 -0.808579
H 0.181798 0.079087 -0.920197
H -1.944433 -1.198562 -0.683581
H 0.546003 -2.891185 1.517442
H -1.469853 -1.668648 2.328027
H -1.916633 -2.895494 1.125072
H -3.796206 -0.292795 1.600962
H 1.615876 -1.419200 2.906312
H 1.932530 0.298422 2.501480
H 0.300441 -0.234258 2.937438
H -1.592162 0.417314 2.705108
H -0.856773 1.951655 2.132431
H -2.592238 1.660141 1.950497
H -5.266791 0.469534 -0.275335
H -4.120327 -0.174967 -1.474075
H 3.053183 -2.111333 -1.593270
H 1.817769 -0.908735 -1.992788
H -3.700844 2.255620 0.365737
H -4.118587 -2.575123 -0.459606
H -4.123834 -2.729674 1.322228
H -5.459417 -1.887928 0.500391
H 3.403450 -1.741287 1.709957
H 4.963452 0.915847 -0.807023
H 4.852974 -0.884632 -0.628782
H 5.122939 0.160003 0.782378
H -3.142667 2.462295 -2.320177
H 3.769803 4.398284 -0.881193
H 2.060821 4.287297 -0.273743
H 2.526818 3.480222 -1.819420


