%chk=000183477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183477

0 1
O -1.072818 1.885150 0.597817
O -2.588763 2.248842 -1.040639
O 3.141149 -0.636857 -0.558184
C -4.159258 0.805734 1.349429
C -2.873591 0.378579 0.558362
C -3.149101 -0.671247 -0.534204
C -4.660050 -0.403114 2.159964
C -5.259047 1.288638 0.393712
C -3.782926 1.941936 2.318596
C -2.232781 1.585590 -0.095678
C -1.869943 -1.254625 -1.072837
C -1.306745 -2.394476 -0.481109
C -1.232083 -0.652586 -2.168348
C -0.239515 2.969724 0.101067
C -0.116481 -2.927382 -0.984257
C -0.042838 -1.189192 -2.666754
C 0.516550 -2.327769 -2.077250
C 1.023223 2.406169 -0.492818
C 1.440670 1.106466 -0.185974
C 1.797055 3.221764 -1.333750
C 2.650006 0.658759 -0.725931
C 2.994813 2.738237 -1.871000
C 3.443002 1.451813 -1.569113
C 2.955737 -1.310186 0.648443
C 2.856950 -0.677876 1.892146
C 2.983334 -2.708097 0.511135
C 2.772987 -1.482331 3.032653
C 2.904102 -3.483549 1.666960
C 2.794593 -2.876255 2.925214
H -2.145601 -0.054376 1.296384
H -3.796317 -1.471899 -0.117675
H -3.741979 -0.215093 -1.357264
H -5.580464 -0.158292 2.701855
H -4.883333 -1.261079 1.515555
H -3.923818 -0.729585 2.901752
H -4.878445 2.038475 -0.315323
H -5.678874 0.470556 -0.199706
H -6.088475 1.750091 0.939527
H -3.551360 2.872861 1.788707
H -2.909150 1.687789 2.928545
H -4.605989 2.165015 3.006059
H -1.791639 -2.864013 0.371383
H -1.659947 0.240719 -2.625096
H -0.815328 3.580053 -0.625490
H -0.029477 3.560460 1.014327
H 0.321716 -3.808207 -0.518211
H 0.453146 -0.715163 -3.512564
H 1.446856 -2.738198 -2.463868
H 0.818878 0.460771 0.437101
H 1.466611 4.228800 -1.577435
H 3.587822 3.374064 -2.529021
H 4.373591 1.058199 -1.970443
H 2.856343 0.406225 1.974026
H 3.069104 -3.153566 -0.476761
H 2.694386 -1.013687 4.013575
H 2.926222 -4.570379 1.589460
H 2.729789 -3.491499 3.819352


%chk=000183477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183477

0 1
O -1.268266 1.170528 1.186907
O -2.211190 2.500999 -0.477459
O 3.714935 -0.797047 -0.333400
C -4.703287 1.077764 0.968990
C -3.400480 0.465773 0.303550
C -3.626585 -0.090113 -1.141571
C -5.675355 -0.085099 1.309335
C -5.407422 2.092275 0.030144
C -4.316828 1.788770 2.296071
C -2.269170 1.489221 0.265419
C -2.521100 -1.041527 -1.581342
C -2.646559 -2.438436 -1.364622
C -1.330349 -0.555243 -2.180885
C -0.077914 2.098376 1.231704
C -1.610729 -3.326917 -1.732105
C -0.289411 -1.438757 -2.543770
C -0.425618 -2.828501 -2.321322
C 0.966334 1.718172 0.203534
C 1.868316 0.660600 0.476257
C 1.043030 2.408446 -1.032573
C 2.835075 0.302621 -0.488765
C 2.013945 2.035384 -1.989509
C 2.916126 0.982859 -1.724227
C 4.187293 -1.185892 0.947308
C 4.564230 -0.248817 1.937891
C 4.365670 -2.571808 1.148443
C 5.114696 -0.719315 3.150804
C 4.921761 -3.026640 2.364240
C 5.294237 -2.105307 3.371410
H -3.062072 -0.362480 0.953954
H -4.595462 -0.620486 -1.161773
H -3.701242 0.766654 -1.835470
H -6.592098 0.316238 1.779980
H -5.986067 -0.648452 0.410657
H -5.212730 -0.797493 2.018488
H -4.716498 2.895592 -0.279963
H -5.794047 1.602558 -0.881961
H -6.267360 2.552137 0.552574
H -3.708298 2.693281 2.111291
H -3.739683 1.118056 2.959324
H -5.228952 2.105692 2.835248
H -3.564621 -2.831972 -0.909041
H -1.216287 0.520831 -2.358953
H -0.440793 3.128625 1.075896
H 0.287154 1.964948 2.262186
H -1.727895 -4.403544 -1.561901
H 0.626673 -1.041647 -2.995485
H 0.380911 -3.514135 -2.604798
H 1.797238 0.107893 1.419141
H 0.329668 3.211583 -1.243282
H 2.073203 2.568252 -2.944677
H 3.678008 0.679185 -2.448489
H 4.442669 0.824171 1.758850
H 4.069752 -3.265495 0.355940
H 5.412438 0.002056 3.919917
H 5.060458 -4.101466 2.524533
H 5.723047 -2.462052 4.313760


