%chk=000235501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235501

0 1
O -3.396168 -0.918730 -1.167920
O -6.126854 0.568130 0.399689
O 5.813324 0.070085 0.635610
C -1.927282 0.494326 0.335912
C -2.702928 -0.821210 0.121914
C -0.511674 0.328476 -0.302247
C 0.208791 -0.934197 0.258045
C 1.588549 -1.017793 -0.409394
C 2.458536 0.230697 -0.053409
C -4.215226 -0.769706 0.032099
C -2.026412 -2.095407 0.570455
C -0.619628 -2.198033 -0.028082
C 0.344262 1.602607 -0.130167
C -2.690746 1.628964 -0.396217
C 1.772757 1.457678 -0.682046
C 3.826161 -0.170278 -0.697400
C 2.510242 -2.206226 -0.092482
C -1.852679 0.773294 1.843434
C 3.923061 -1.702761 -0.469287
C -4.123868 1.821251 0.097097
C -4.938266 0.552610 0.174448
C 2.643099 0.435740 1.457303
C 5.006651 0.583478 -0.107100
C 5.132517 2.024018 -0.525597
H -0.665712 0.165469 -1.399957
H 0.330957 -0.825928 1.363172
H 1.422121 -1.020377 -1.518351
H -4.834141 -1.645766 0.254724
H -2.624594 -2.978437 0.263350
H -1.984929 -2.123131 1.677689
H -0.104718 -3.088119 0.380190
H -0.695857 -2.366183 -1.121467
H 0.394998 1.879621 0.941099
H -0.153887 2.451230 -0.638203
H -2.711756 1.394989 -1.483709
H -2.137588 2.581992 -0.294433
H 1.744306 1.362200 -1.783426
H 2.355065 2.376883 -0.474543
H 3.792236 0.035038 -1.791953
H 2.233887 -3.105558 -0.663504
H 2.460642 -2.484100 0.973597
H -1.172696 0.076384 2.349468
H -1.486698 1.786437 2.044145
H -2.832776 0.680883 2.324248
H 4.650002 -1.928602 0.335516
H 4.299278 -2.204425 -1.374203
H -4.654902 2.545339 -0.559837
H -4.133145 2.298261 1.101736
H 3.252333 -0.363158 1.900533
H 3.141812 1.383765 1.681898
H 1.683111 0.436984 1.986395
H 5.527771 2.105658 -1.546292
H 4.168071 2.551654 -0.500867
H 5.831190 2.565286 0.129024


%chk=000235501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235501

0 1
O -3.290352 -0.853377 -1.359627
O -6.243577 0.435323 0.254076
O 5.812941 0.291021 0.682758
C -1.998067 0.507767 0.397717
C -2.732069 -0.809261 0.051009
C -0.521756 0.379484 -0.149172
C 0.196405 -0.926567 0.332189
C 1.609690 -0.972297 -0.287891
C 2.495192 0.263974 0.080705
C -4.226449 -0.793030 -0.159888
C -2.071323 -2.108086 0.485296
C -0.625697 -2.180118 -0.052793
C 0.342462 1.644502 0.117076
C -2.723159 1.684119 -0.327485
C 1.783729 1.531675 -0.449287
C 3.827623 -0.148268 -0.675780
C 2.525508 -2.186503 -0.003259
C -2.045223 0.715973 1.938384
C 3.954044 -1.683843 -0.403427
C -4.231011 1.797813 -0.006545
C -5.003364 0.480105 0.020881
C 2.765610 0.382958 1.604680
C 5.060924 0.657471 -0.262568
C 5.349073 1.932879 -1.047040
H -0.622266 0.279943 -1.255079
H 0.293005 -0.908244 1.438729
H 1.466988 -0.926025 -1.393343
H -4.805867 -1.712520 -0.002954
H -2.665843 -2.961986 0.111761
H -2.070378 -2.166879 1.591842
H -0.129740 -3.089149 0.335697
H -0.657184 -2.272332 -1.157579
H 0.396400 1.844292 1.204355
H -0.139665 2.528703 -0.339516
H -2.593001 1.548810 -1.416309
H -2.239258 2.638252 -0.050372
H 1.736639 1.487769 -1.558238
H 2.345568 2.448891 -0.181682
H 3.644665 0.037642 -1.754505
H 2.226825 -3.080980 -0.577703
H 2.488004 -2.460021 1.068648
H -1.451809 -0.040306 2.480855
H -1.648897 1.710383 2.210493
H -3.080752 0.656130 2.319981
H 4.689180 -1.852416 0.402475
H 4.329887 -2.203302 -1.302896
H -4.731759 2.468333 -0.730827
H -4.395572 2.265446 0.985000
H 3.365956 -0.460442 1.984755
H 3.332586 1.305331 1.827322
H 1.828609 0.422402 2.185443
H 5.716713 1.665530 -2.057628
H 4.431207 2.531338 -1.190452
H 6.119209 2.532998 -0.537587


