Difference between revisions of "WebMO Basis set 1"
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(Created page with "(4/16/20, bes) '''Exercise 4: Exploring the Effect of Theory and Basis Sets''' Using WebMO/Gaussian please complete the following table: {| border=1 | HF Theory ||C-H bond...") |
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{| border=1 | {| border=1 | ||
| − | | HF | + | |+ Methane HF Level of theory |
| + | |- | ||
| + | | Basis Set ||C-H bond length | ||
|- | |- | ||
|STO-3G || | |STO-3G || | ||
Revision as of 14:13, 16 April 2020
(4/16/20, bes)
Exercise 4: Exploring the Effect of Theory and Basis Sets
Using WebMO/Gaussian please complete the following table:
| Basis Set | C-H bond length |
| STO-3G | |
| 3-21G | |
| 6-31G(d) | |
| 6=311+G(2d,p) |