%chk=000200149.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200149

0 1
O -2.042486 -2.329757 1.493661
O 5.726651 -0.090363 0.603247
O -6.019258 0.660093 -0.839752
C 1.498626 -0.860383 -0.686098
C 2.384732 0.276921 -0.083577
C 0.113718 -0.878839 -0.026510
C -0.586475 0.477827 -0.322400
C -1.991935 0.553989 0.364384
C 3.756553 -0.019777 -0.773320
C 1.730730 1.613756 -0.476398
C 0.296654 1.683343 0.073689
C 2.394055 -2.106490 -0.595652
C -0.742267 -2.033475 -0.570111
C 3.821702 -1.568676 -0.848851
C -2.813292 -0.682867 0.006647
C -2.128577 -2.040040 0.079472
C 2.543788 0.183865 1.440476
C -2.705776 1.833794 -0.156885
C -1.887015 0.594966 1.897039
C 4.939694 0.578055 -0.028943
C -4.202363 1.856519 0.145003
C -4.108526 -0.634695 -0.334568
C -4.889961 0.622868 -0.400206
C 5.094831 2.070465 -0.146806
H 1.348372 -0.643459 -1.775511
H 0.218847 -1.003693 1.079643
H -0.754890 0.532324 -1.427403
H 1.719863 1.730278 -1.576012
H 2.325776 2.464901 -0.090004
H 3.747790 0.397040 -1.806473
H 0.332394 1.766948 1.179981
H -0.175716 2.618975 -0.282563
H 2.112632 -2.871777 -1.334498
H 2.323237 -2.584178 0.395846
H -0.232939 -2.999285 -0.391915
H -0.847586 -1.955093 -1.670199
H 4.531146 -1.962725 -0.094487
H 4.204146 -1.891639 -1.829376
H -2.765113 -2.841169 -0.368895
H 3.131669 -0.696407 1.732035
H 3.051860 1.061697 1.851931
H 1.573618 0.101728 1.945586
H -2.557127 1.922527 -1.251831
H -2.229944 2.728878 0.288488
H -1.531649 -0.370566 2.294487
H -1.199448 1.374334 2.239459
H -2.863098 0.776643 2.360700
H -4.673592 2.769084 -0.272951
H -4.385928 1.907537 1.239229
H -4.689477 -1.528659 -0.572426
H -1.455344 -3.095687 1.647017
H 5.516408 2.347928 -1.121530
H 4.137648 2.600586 -0.036805
H 5.784846 2.456729 0.617836


%chk=000200149-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200149

0 1
O -2.153295 -2.468450 1.412170
O 5.734993 0.137433 0.688304
O -6.103598 0.657405 -1.050200
C 1.525178 -0.839122 -0.531285
C 2.425897 0.290394 0.067396
C 0.106715 -0.886050 0.074200
C -0.585402 0.496248 -0.143683
C -2.063284 0.555835 0.428497
C 3.759069 0.002899 -0.744716
C 1.741055 1.645043 -0.227760
C 0.299027 1.676948 0.349098
C 2.418284 -2.101785 -0.473695
C -0.736903 -1.999738 -0.579716
C 3.858041 -1.558620 -0.765839
C -2.843567 -0.675497 -0.064588
C -2.168876 -2.041040 -0.015775
C 2.682707 0.121695 1.588518
C -2.749440 1.853173 -0.108855
C -2.081716 0.557656 1.991821
C 5.001961 0.691523 -0.177174
C -4.282854 1.868335 0.060201
C -4.124507 -0.602379 -0.544437
C -4.929124 0.639107 -0.571022
C 5.326455 2.083617 -0.707411
H 1.398018 -0.582096 -1.609926
H 0.175060 -1.101978 1.158958
H -0.685042 0.609008 -1.249711
H 1.700530 1.802990 -1.326547
H 2.315985 2.488594 0.203822
H 3.590804 0.391530 -1.770665
H 0.355023 1.670353 1.453446
H -0.170411 2.636961 0.065168
H 2.111151 -2.868693 -1.206971
H 2.368687 -2.568618 0.528513
H -0.259102 -2.989235 -0.432826
H -0.789186 -1.828314 -1.675580
H 4.583303 -1.888915 -0.002326
H 4.232533 -1.905735 -1.745368
H -2.780651 -2.762561 -0.596992
H 3.297842 -0.767421 1.805915
H 3.232732 0.994659 1.985648
H 1.742084 0.034455 2.158048
H -2.512527 1.958674 -1.187543
H -2.321062 2.733993 0.403695
H -1.580039 -0.333305 2.400808
H -1.595877 1.468412 2.385447
H -3.120256 0.537407 2.366036
H -4.732588 2.774191 -0.383433
H -4.555433 1.873530 1.135375
H -4.639230 -1.504594 -0.900625
H -1.769084 -3.382546 1.449019
H 5.723659 1.996829 -1.738422
H 4.420836 2.713907 -0.767651
H 6.087628 2.568786 -0.076462


