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	hartrees
Energy at 0K	-34.610880
Energy at 298.15K	-34.615006
HF Energy	-34.456353
Nuclear repulsion energy	17.328748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2643	2562	143.41
2	A₁	2305	2234	150.32
3	A₁	1281	1242	110.50
4	A₁	691	670	170.43
5	E	2294	2224	339.24
5	E	2294	2224	339.24
6	E	1310	1269	2.77
6	E	1310	1269	2.77
7	E	1138	1103	39.47
7	E	1138	1103	39.47
8	E	503	487	4.82
8	E	503	487	4.82

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.423
B2	0.000	0.000	0.504
H3	0.000	0.000	1.707
H4	0.000	1.152	0.014
H5	0.997	-0.576	0.014
H6	-0.997	-0.576	0.014

	Li1	B2	H3	H4	H5	H6
Li1		1.9263	3.1291	1.8414	1.8414	1.8414
B2	1.9263		1.2028	1.2514	1.2514	1.2514
H3	3.1291	1.2028		2.0470	2.0470	2.0470
H4	1.8414	1.2514	2.0470		1.9948	1.9948
H5	1.8414	1.2514	2.0470	1.9948		1.9948
H6	1.8414	1.2514	2.0470	1.9948	1.9948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.976
Li1	B2	H5	66.976	Li1	B2	H6	66.976
Li1	H4	B2	74.311	Li1	H5	B2	74.311
Li1	H6	B2	74.311	H3	B2	H4	113.024
H3	B2	H5	113.024	H3	B2	H6	113.024
H4	B2	H5	105.696	H4	B2	H6	105.696
H5	B2	H6	105.696

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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