ClustersTIP3Pn12.xyz: Difference between revisions
Jump to navigation
Jump to search
(New page: 36 Energy of minimum 1156= -478.5136913988 O -2.2009802693 -0.3199346058 0.5073836666 H -3.1135601656 -0.1544540299 0.7441239267 H -1.729456990...) |
m (Added final hydrogen.) |
||
| Line 36: | Line 36: | ||
O 4.2477071664 -0.0816870249 0.7137140354 | O 4.2477071664 -0.0816870249 0.7137140354 | ||
H 3.7160708546 0.6864768617 0.5051021608 | H 3.7160708546 0.6864768617 0.5051021608 | ||
H 5.1435559034 0.1823138370 0.5039750923 | |||
[[category: xyz file]] | [[category: xyz file]] | ||
Latest revision as of 14:02, 20 July 2009
36
Energy of minimum 1156= -478.5136913988
O -2.2009802693 -0.3199346058 0.5073836666 H -3.1135601656 -0.1544540299 0.7441239267 H -1.7294569905 0.4549788714 0.8130088281 O 2.8185225410 -2.3457611602 0.0405470129 H 2.5227104439 -2.5926600201 0.9167707259 H 3.3972150220 -1.5970539836 0.1847150223 O 2.6099435238 -0.2729382110 2.9702071414 H 2.2308333026 -1.1510219915 2.9317863967 H 3.2920088890 -0.2764230358 2.2986369422 O -0.5973884005 -2.5328099059 0.8990855418 H -0.2876059555 -2.6445231800 0.0003159272 H -1.2330533505 -1.8190630362 0.8468618295 O 2.6868057909 2.0786054446 0.3424973912 H 2.2664877111 2.2619720469 1.1827004857 H 1.9984858650 2.2231143681 -0.3067827406 O 0.4741653572 2.3395528750 -1.2878041291 H 0.1568256621 1.4646918453 -1.5117361176 H 0.3350766688 2.8558029742 -2.0817638326 O 0.6840697969 -2.5569811116 -1.5844379063 H 0.9117418801 -3.1931539319 -2.2624359919 H 1.4851939175 -2.4572874279 -1.0701489295 O -0.5643333851 -0.1000078327 -1.7473063750 H -0.1181382055 -0.9439649064 -1.8171501888 H -1.2407981504 -0.2402913629 -1.0847750237 O -0.8103820376 1.8913821582 1.1534433385 H -0.1321747928 2.0064600830 1.8190437015 H -0.4096350982 2.2103962395 0.3448249209 O 1.5549048575 -2.7795476078 2.4952787142 H 0.7459684169 -2.6787026216 1.9935975778 H 1.3805197142 -3.5112278054 3.0872801915 O 1.3833007422 2.1170682981 2.8143394668 H 1.7685659840 1.2483131399 2.9286504784 H 1.4858337766 2.5391898959 3.6672944319 O 4.2477071664 -0.0816870249 0.7137140354 H 3.7160708546 0.6864768617 0.5051021608 H 5.1435559034 0.1823138370 0.5039750923