%chk=000291725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291725

0 1
O -0.501841 -2.021052 -2.316956
O 0.501872 2.020851 -2.317079
O -6.045636 -1.533141 1.330853
O 6.045585 1.533291 1.330762
O -7.127047 0.298665 -0.013678
O 7.127043 -0.298637 -0.013564
C -0.760182 -0.145161 -0.766166
C 0.760194 0.145062 -0.766165
C -1.470616 0.296777 0.527184
C 1.470607 -0.296786 0.527225
C -1.022638 -1.639089 -1.033527
C 1.022653 1.638971 -1.033619
C -2.966595 0.329406 0.359598
C 2.966588 -0.329408 0.359664
C -3.759620 -0.673541 0.963558
C 3.759588 0.673615 0.963529
C -3.568638 1.341134 -0.382834
C 3.568656 -1.341202 -0.382657
C -5.138506 -0.638988 0.811483
C 5.138476 0.639069 0.811474
C -4.966517 1.383973 -0.544456
C 4.966538 -1.384036 -0.544256
C -5.754007 0.405406 0.044782
C 5.754004 -0.405394 0.044889
C -5.520169 -2.620430 2.130772
C 5.520089 2.620659 2.130554
C -7.831941 1.318788 -0.761587
C 7.831964 -1.318824 -0.761361
H -1.193753 0.443896 -1.621181
H 1.193782 -0.444052 -1.621132
H -1.184227 -0.362610 1.369644
H -1.112218 1.308189 0.815465
H 1.184198 0.362653 1.369637
H 1.112213 -1.308182 0.815563
H -0.471114 -2.301044 -0.341619
H -2.100650 -1.878097 -0.994551
H 0.471121 2.300971 -0.341760
H 2.100664 1.877979 -0.994646
H -3.281683 -1.456853 1.542674
H 3.281630 1.456979 1.542558
H -2.961791 2.114921 -0.851486
H 2.961828 -2.115047 -0.851239
H -0.978300 -1.551671 -3.029871
H 0.978328 1.551410 -3.029957
H -5.408010 2.185871 -1.129408
H 5.408051 -2.185987 -1.129120
H -6.440865 -3.151553 2.407545
H -5.011133 -2.232131 3.017057
H -4.867420 -3.257563 1.528053
H 6.440773 3.151828 2.407283
H 5.011046 2.232449 3.016875
H 4.867338 3.257716 1.527757
H -8.874648 0.996188 -0.640757
H -7.534921 1.296059 -1.813621
H -7.672258 2.302515 -0.311782
H 8.874664 -0.996193 -0.640552
H 7.534955 -1.296208 -1.813400
H 7.672293 -2.302507 -0.311456


%chk=000291725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291725

0 1
O -0.476475 -2.089127 -2.403419
O 0.476519 2.088960 -2.403549
O -6.127620 -1.487863 1.538695
O 6.127589 1.488012 1.538605
O -7.259981 0.315314 -0.037553
O 7.259971 -0.315332 -0.037436
C -0.759135 -0.173348 -0.808377
C 0.759144 0.173286 -0.808373
C -1.501937 0.265300 0.491575
C 1.501921 -0.265275 0.491622
C -0.997482 -1.673141 -1.085877
C 0.997496 1.673061 -1.085968
C -3.018771 0.300273 0.340874
C 3.018758 -0.300262 0.340947
C -3.843492 -0.626238 1.032860
C 3.843469 0.626324 1.032842
C -3.636282 1.254157 -0.497215
C 3.636280 -1.254235 -0.497034
C -5.248880 -0.608193 0.893570
C 5.248859 0.608269 0.893568
C -5.043074 1.288134 -0.645572
C 5.043073 -1.288225 -0.645373
C -5.861820 0.365013 0.040836
C 5.861810 -0.365027 0.040944
C -5.536984 -2.501511 2.412919
C 5.536940 2.501754 2.412712
C -7.912360 1.303848 -0.896969
C 7.912361 -1.303962 -0.896733
H -1.207049 0.395537 -1.651442
H 1.207076 -0.395655 -1.651391
H -1.222603 -0.411861 1.322590
H -1.142849 1.274273 0.775490
H 1.222574 0.411943 1.322586
H 1.142826 -1.274228 0.775599
H -0.448132 -2.309461 -0.368999
H -2.078211 -1.907945 -1.003920
H 0.448129 2.309428 -0.369145
H 2.078223 1.907872 -1.004002
H -3.372234 -1.364788 1.690179
H 3.372204 1.364943 1.690079
H -3.020630 1.984020 -1.036669
H 3.020635 -1.984157 -1.036417
H -0.989673 -1.610407 -3.102810
H 0.989734 1.610195 -3.102897
H -5.494739 2.042216 -1.297114
H 5.494748 -2.042375 -1.296828
H -6.391219 -3.075541 2.800761
H -4.985123 -2.039078 3.255145
H -4.858788 -3.174713 1.851966
H 6.391168 3.075832 2.800497
H 4.985075 2.039411 3.254985
H 4.858744 3.174890 1.851679
H -8.987454 1.087448 -0.812864
H -7.591744 1.198632 -1.952401
H -7.711074 2.337044 -0.551157
H 8.987454 -1.087548 -0.812644
H 7.591753 -1.198870 -1.952179
H 7.711077 -2.337119 -0.550803


