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	hartrees
Energy at 0K	-76.762654
Energy at 298.15K	-76.763823
HF Energy	-76.762654
Nuclear repulsion energy	24.271628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	712	647	0.00
2	A₂"	168	153	171.43
3	E'	935	849	244.36
3	E'	935	849	244.36
4	E'	230	209	73.39
4	E'	230	209	73.39

Atom	x (Å)	y (Å)
N1	0.000	0.000
Li2	0.000	1.713
Li3	1.484	-0.857
Li4	-1.484	-0.857

	N1	Li2	Li3	Li4
N1		1.7134	1.7134	1.7134
Li2	1.7134		2.9677	2.9677
Li3	1.7134	2.9677		2.9677
Li4	1.7134	2.9677	2.9677

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li2	N1	Li3	120.000		Li2	N1	Li4	120.000
Li3	N1	Li4	120.000

All results from a given calculation for Li₃N (trilithium nitride)

using model chemistry: HF/cc-pVQZ

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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Number	Element	Mulliken
1	N	-0.186
2	Li	0.062
3	Li	0.062
4	Li	0.062

<r²>	31.316
(<r²>)^1/2	5.596

All results from a given calculation for Li3N (trilithium nitride)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for Li₃N (trilithium nitride)