%chk=000179161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179161

0 1
O -1.907753 2.291325 -0.120098
O -2.727407 1.076644 -1.841187
O 2.692868 0.601173 1.380699
C -4.400479 -0.486998 0.284145
C -3.184061 -0.454890 1.228544
C -3.588279 0.799287 0.440942
C -4.072303 -1.420141 -0.883840
C -2.166330 -1.356708 0.617129
C -2.684125 -1.932682 -0.579211
C -2.739193 1.327968 -0.659156
C -0.896210 -1.673849 1.068905
C -1.922969 -2.828693 -1.312782
C -0.128980 -2.585187 0.320098
C -0.634651 -3.153135 -0.848197
C -0.966786 2.955222 -1.016111
C 0.378841 2.914887 -0.346037
C 0.890840 1.707498 0.146206
C 1.125519 4.098916 -0.235735
C 2.153884 1.728508 0.744824
C 2.386734 4.084390 0.368853
C 2.921236 2.894113 0.865274
C 2.894002 -0.569096 0.658722
C 2.792273 -0.679781 -0.731417
C 3.275274 -1.647872 1.477485
C 3.081577 -1.918043 -1.313935
C 3.564699 -2.865973 0.866388
C 3.465791 -3.006214 -0.525172
H -5.429594 -0.495702 0.634402
H -3.249611 -0.433618 2.314438
H -4.036734 1.620894 1.025695
H -4.805728 -2.240286 -0.966357
H -4.085097 -0.871769 -1.851591
H -0.493132 -1.230740 1.977132
H -2.303395 -3.270469 -2.229740
H 0.875842 -2.840651 0.658232
H -0.025979 -3.855988 -1.415126
H -1.372725 3.977113 -1.129576
H -0.954940 2.447079 -2.004316
H 0.310688 0.785231 0.088069
H 0.723305 5.036762 -0.614096
H 2.958151 5.009136 0.453121
H 3.898015 2.857599 1.342806
H 2.502804 0.167413 -1.347579
H 3.345484 -1.512158 2.553879
H 3.007413 -2.029426 -2.395996
H 3.869981 -3.716011 1.476807
H 3.693540 -3.962077 -0.990137


%chk=000179161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179161

0 1
O -1.912481 2.498030 -0.301206
O -1.931942 0.529750 -1.573238
O 3.017880 0.826714 1.215633
C -4.397420 -0.359139 0.199504
C -3.273134 -0.526348 1.234896
C -3.396173 0.801395 0.390459
C -4.174752 -1.403958 -0.913658
C -2.382959 -1.610110 0.714427
C -2.888724 -2.121093 -0.511991
C -2.370950 1.198053 -0.605504
C -1.190410 -2.116909 1.270797
C -2.203235 -3.145790 -1.190107
C -0.505648 -3.153014 0.590829
C -1.009764 -3.664348 -0.629203
C -0.817949 3.040124 -1.171212
C 0.487252 3.094647 -0.405559
C 1.133486 1.892946 -0.017014
C 1.065146 4.344092 -0.073192
C 2.349607 1.963139 0.696825
C 2.282133 4.396597 0.644624
C 2.931049 3.207412 1.032983
C 3.094061 -0.400604 0.510356
C 3.064343 -0.497253 -0.900200
C 3.312590 -1.541993 1.314338
C 3.242873 -1.763250 -1.501677
C 3.497070 -2.797659 0.697626
C 3.459048 -2.916209 -0.712237
H -5.424158 -0.144507 0.508893
H -3.423667 -0.403959 2.311001
H -3.764198 1.649009 0.975386
H -5.035218 -2.099792 -0.948038
H -4.077447 -0.942113 -1.912749
H -0.790342 -1.711369 2.207211
H -2.581588 -3.537014 -2.141652
H 0.429648 -3.549059 1.001102
H -0.465851 -4.463089 -1.146405
H -1.157908 4.048742 -1.455880
H -0.748692 2.391429 -2.063264
H 0.681913 0.923719 -0.256794
H 0.560731 5.271495 -0.367864
H 2.725676 5.364032 0.903199
H 3.870169 3.218735 1.593813
H 2.916180 0.393269 -1.518111
H 3.343776 -1.424558 2.401817
H 3.217247 -1.842908 -2.594053
H 3.674151 -3.682439 1.319496
H 3.600883 -3.891848 -1.189002


