%chk=000179967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179967

0 1
O 1.107807 1.167587 2.059581
O -1.285365 -3.200910 0.991227
O -3.918523 -2.831265 0.095120
O -4.757971 -0.297099 -0.410565
O 5.013966 0.814057 -0.709069
O -4.288877 2.214455 -0.911419
O 4.635686 -1.645082 -1.053561
C 1.082638 1.300935 0.618026
C -0.729969 -0.921565 0.627731
C -1.245057 0.444326 0.216387
C 1.587111 -0.063869 0.146331
C -0.358457 1.525601 0.190663
C 0.687583 -1.141779 0.137764
C -1.689287 -2.061425 0.219137
C 2.023813 2.450647 0.206307
C -2.612950 0.645871 -0.110403
C -3.151976 -1.733521 0.592981
C 2.927118 -0.234320 -0.248343
C 3.467284 2.109527 0.555222
C -3.597349 -0.418017 -0.028736
C -0.819193 2.806553 -0.193635
C 3.918083 0.875435 -0.201727
C 1.142855 -2.417197 -0.249241
C -3.032673 1.934314 -0.530828
C 3.336078 -1.517885 -0.667381
C -2.131504 3.024017 -0.560725
C 2.451778 -2.613394 -0.666527
H -0.662682 -0.927635 1.762471
H -1.613339 -2.317864 -0.862568
H 1.732635 3.390205 0.713649
H 1.933795 2.639592 -0.883748
H -3.289966 -1.707074 1.703693
H 3.566766 1.911872 1.646666
H 4.145269 2.957962 0.335878
H -0.126301 3.653656 -0.204675
H 0.468078 -3.281193 -0.203532
H 0.713749 1.954042 2.486629
H -2.494566 4.002236 -0.874630
H 2.791132 -3.598582 -0.973189
H -1.957943 -3.921663 0.895155
H -4.819277 -2.519496 -0.190983
H -4.919467 1.388291 -0.896207
H 4.862269 -2.577141 -1.314727


%chk=000179967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179967

0 1
O 1.039783 1.107908 2.158226
O -1.329463 -3.286111 1.004304
O -4.015248 -2.813455 0.418543
O -4.794119 -0.357098 -0.469598
O 5.084074 0.946066 -0.728376
O -4.343345 2.125415 -1.069145
O 4.686281 -1.666357 -1.229674
C 1.089014 1.295609 0.659974
C -0.720135 -0.932632 0.660993
C -1.245158 0.439274 0.222031
C 1.618659 -0.051851 0.149222
C -0.341840 1.520844 0.161260
C 0.710213 -1.139138 0.141268
C -1.702996 -2.064766 0.286173
C 2.037523 2.466877 0.343949
C -2.610539 0.640082 -0.159929
C -3.138934 -1.687881 0.694032
C 2.971716 -0.205052 -0.298054
C 3.485684 2.091680 0.695990
C -3.581443 -0.430562 -0.030200
C -0.805372 2.785225 -0.305145
C 3.949192 0.926449 -0.175193
C 1.154953 -2.401405 -0.317895
C -3.048978 1.920068 -0.656605
C 3.376080 -1.487607 -0.787389
C -2.131618 2.992767 -0.717190
C 2.466445 -2.570674 -0.787959
H -0.653796 -0.925120 1.771694
H -1.689568 -2.247410 -0.811605
H 1.726578 3.361990 0.916767
H 1.975987 2.723004 -0.731799
H -3.141535 -1.478687 1.787796
H 3.528757 1.786928 1.760306
H 4.180562 2.934020 0.542963
H -0.111032 3.628269 -0.363744
H 0.478808 -3.258306 -0.277166
H 0.593859 1.908170 2.543186
H -2.474484 3.960579 -1.091759
H 2.794085 -3.555574 -1.146054
H -2.096990 -3.913062 0.925293
H -4.857581 -2.452726 0.025614
H -4.855939 1.243260 -0.984802
H 4.834660 -2.615805 -1.476102


