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	hartrees
Energy at 0K	-34.707160
Energy at 298.15K	-34.711345
HF Energy	-34.468576
Nuclear repulsion energy	17.508164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2623	2528
2	A₁	2277	2194
3	A₁	1272	1226
4	A₁	714	688
5	E	2254	2172
5	E	2254	2172
6	E	1337	1288
6	E	1336	1288
7	E	1148	1106
7	E	1148	1106
8	E	534	515
8	E	534	515

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.407
B2	0.000	0.000	0.500
H3	0.000	0.000	1.690
H4	0.000	1.138	0.010
H5	0.986	-0.569	0.010
H6	-0.986	-0.569	0.010

	Li1	B2	H3	H4	H5	H6
Li1		1.9072	3.0971	1.8171	1.8171	1.8171
B2	1.9072		1.1899	1.2395	1.2395	1.2395
H3	3.0971	1.1899		2.0298	2.0298	2.0298
H4	1.8171	1.2395	2.0298		1.9715	1.9715
H5	1.8171	1.2395	2.0298	1.9715		1.9715
H6	1.8171	1.2395	2.0298	1.9715	1.9715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.678
Li1	B2	H5	66.678	Li1	B2	H6	66.678
Li1	H4	B2	74.537	Li1	H5	B2	74.537
Li1	H6	B2	74.537	H3	B2	H4	113.322
H3	B2	H5	113.322	H3	B2	H6	113.322
H4	B2	H5	105.361	H4	B2	H6	105.361
H5	B2	H6	105.361

All results from a given calculation for LiBH₄ (Lithium borohydride)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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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All results from a given calculation for LiBH4 (Lithium borohydride)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for LiBH₄ (Lithium borohydride)