Wolfeka

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Revision as of 01:34, 31 March 2026 by Wolfeka (talk | contribs) (Created page with "== NH<sub>3</sub> molecule == ===calculation table=== {| class="wikitable" |name of submitted log file|| KATW307_nh3opt1.log |- |molecule|| NH<sub>3</sub> |- |method|| RB3LYP...")

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Contents

1 NH₃ molecule
- 1.1 calculation table
- 1.2 Item table
2 Project molecule

NH₃ molecule

calculation table

name of submitted log file	KATW307_nh3opt1.log
molecule	NH₃
method	RB3LYP
basis set	6-31G(d,p)
final energy	-56.557769
RMS gradient	1.53e-07
point group	C3v

Item table





Project molecule

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