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	hartrees
Energy at 0K	-82.887579
Energy at 298.15K	-82.888559
HF Energy	-82.887579
Nuclear repulsion energy	13.110104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3540	3517	2.33
2	Σ	1089	1082	31.76
3	Π	396	394	167.97
3	Π	396	393	167.77

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.304
Li2	0.000	0.000	-1.243
H3	0.000	0.000	1.294

	O1	Li2	H3
O1		1.5476	0.9895
Li2	1.5476		2.5372
H3	0.9895	2.5372

Number	Element	Mulliken
1	O	-0.598
2	Li	0.283
3	H	0.315

All results from a given calculation for LiOH (lithium hydroxide)

using model chemistry: BLYP/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	3.072	0.000	-0.000
y	0.000	3.072	-0.000
z	-0.000	-0.000	3.317

<r²>	11.758
(<r²>)^1/2	3.429