%chk=000191872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191872

0 1
O 0.458100 1.418224 0.078995
O -0.756652 -0.374445 0.594479
O -2.127673 2.988874 0.265717
O -3.693267 1.298076 -1.628643
O -4.278209 -1.119641 -0.060024
O -2.630944 -3.234547 0.153597
O -0.668796 -3.087116 1.220030
C 3.589249 -0.536277 0.243626
C 2.018399 -0.540041 0.136353
C 3.719759 0.747570 -0.665494
C 1.688308 0.888679 0.661100
C 2.812127 1.776985 0.066701
C 1.783843 -0.535311 -1.398578
C 2.958898 0.318587 -1.950863
C 4.122691 -0.351912 1.668187
C 4.253488 -1.787363 -0.335075
C -0.768941 1.090438 0.688694
C -1.825192 1.698052 -0.282090
C -3.151038 0.910602 -0.356606
C -0.907816 1.519856 2.132967
C -2.967477 -0.621209 -0.342182
C -2.003779 -1.035743 0.793704
C -1.621301 -2.511458 0.773886
H 1.487111 -1.340919 0.664982
H 4.740579 1.097777 -0.839306
H 1.607572 0.938215 1.759141
H 3.353511 2.332955 0.843225
H 2.391954 2.526395 -0.626407
H 0.803969 -0.087894 -1.637176
H 1.783543 -1.554585 -1.807298
H 3.604800 -0.259344 -2.626966
H 2.598931 1.186305 -2.521934
H 3.786713 -1.169639 2.316262
H 5.218637 -0.353189 1.678728
H 3.808373 0.583168 2.138594
H 3.902782 -2.031841 -1.342891
H 5.340071 -1.665655 -0.393766
H 4.047363 -2.663099 0.291083
H -1.381190 1.812513 -1.302457
H -3.856016 1.230617 0.447596
H -0.344547 0.871334 2.813648
H -0.539659 2.553087 2.250605
H -1.954888 1.539446 2.459426
H -2.620637 -0.998929 -1.330146
H -2.430057 -0.789590 1.798023
H -2.560889 3.540087 -0.427756
H -4.577250 0.878820 -1.752230
H -4.293215 -2.108009 -0.153266
H -2.446236 -4.210605 0.124904


%chk=000191872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191872

0 1
O 0.458254 1.303516 -0.120584
O -0.873239 -0.491304 0.558940
O -1.964041 2.968532 -0.435739
O -4.122015 1.377066 -1.313708
O -4.596893 -1.014780 0.174855
O -3.212681 -3.244825 0.921303
O -0.889802 -3.202917 1.008972
C 3.713168 -0.552038 0.199981
C 2.185795 -0.564754 -0.191828
C 3.943754 0.870329 -0.441987
C 1.687081 0.740476 0.500079
C 2.868703 1.741636 0.278209
C 2.221022 -0.302888 -1.726910
C 3.451130 0.664084 -1.906250
C 3.995765 -0.613136 1.723991
C 4.532777 -1.690285 -0.454779
C -0.802330 1.024752 0.495225
C -1.870616 1.512125 -0.517817
C -3.250340 0.899253 -0.233772
C -0.954812 1.632344 1.898502
C -3.230149 -0.632349 -0.181302
C -2.171831 -1.064761 0.880014
C -1.956808 -2.577587 0.941164
H 1.610164 -1.454697 0.106320
H 4.970849 1.266845 -0.360937
H 1.487678 0.552042 1.569232
H 3.233792 2.161144 1.232337
H 2.530370 2.583796 -0.349551
H 1.277912 0.158182 -2.061660
H 2.350863 -1.245669 -2.286433
H 4.237252 0.216542 -2.540799
H 3.160721 1.623168 -2.371243
H 3.626193 -1.567323 2.145708
H 5.085908 -0.566917 1.909947
H 3.531467 0.207285 2.296509
H 4.372225 -1.775653 -1.541602
H 5.615163 -1.529316 -0.285961
H 4.265915 -2.663636 -0.000856
H -1.533704 1.192899 -1.525330
H -3.634364 1.269007 0.741693
H -0.168441 1.261201 2.575345
H -0.885948 2.727993 1.811294
H -1.935549 1.391700 2.345300
H -2.940068 -1.043037 -1.171260
H -2.546730 -0.744935 1.880023
H -2.711613 3.238484 -1.030710
H -5.012638 0.960528 -1.183491
H -4.606959 -1.996598 0.336933
H -3.067249 -4.227220 0.985734


