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	hartrees
Energy at 0K	-34.693132
Energy at 298.15K	-34.697279
HF Energy	-34.470681
Nuclear repulsion energy	17.559329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2669	2555	131.70
2	A₁	2318	2219	147.27
3	A₁	1268	1214	102.41
4	A₁	700	670	166.23
5	E	2310	2211	315.28
5	E	2310	2211	315.28
6	E	1314	1258	1.58
6	E	1314	1258	1.58
7	E	1143	1094	31.84
7	E	1143	1094	31.84
8	E	517	495	5.89
8	E	517	495	5.89

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.405
B2	0.000	0.000	0.498
H3	0.000	0.000	1.685
H4	0.000	1.135	0.013
H5	0.983	-0.567	0.013
H6	-0.983	-0.567	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9034	3.0900	1.8163	1.8163	1.8163
B2	1.9034		1.1867	1.2344	1.2344	1.2344
H3	3.0900	1.1867		2.0209	2.0209	2.0209
H4	1.8163	1.2344	2.0209		1.9659	1.9659
H5	1.8163	1.2344	2.0209	1.9659		1.9659
H6	1.8163	1.2344	2.0209	1.9659	1.9659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.847
Li1	B2	H5	66.847	Li1	B2	H6	66.847
Li1	H4	B2	74.478	Li1	H5	B2	74.478
Li1	H6	B2	74.478	H3	B2	H4	113.153
H3	B2	H5	113.153	H3	B2	H6	113.153
H4	B2	H5	105.551	H4	B2	H6	105.551
H5	B2	H6	105.551

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

using model chemistry: MP2=FULL/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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All results from a given calculation for LiBH4 (Lithium borohydride)

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

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