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	hartrees
Energy at 0K	-34.297511
Energy at 298.15K	-34.301630
HF Energy	-34.297511
Nuclear repulsion energy	17.508060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3032	2805	10.91
2	A₁	2336	2161	272.76
3	A₁	1273	1178	112.34
4	A₁	782	723	96.08
5	E	2304	2132	210.53
5	E	2304	2132	210.52
6	E	1362	1260	0.65
6	E	1362	1260	0.65
7	E	1246	1152	17.68
7	E	1246	1152	17.68
8	E	577	534	4.51
8	E	577	534	4.51

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.397
B2	0.000	0.000	0.502
H3	0.000	0.000	1.669
H4	0.000	1.150	0.005
H5	0.996	-0.575	0.005
H6	-0.996	-0.575	0.005

	Li1	B2	H3	H4	H5	H6
Li1		1.8990	3.0659	1.8134	1.8134	1.8134
B2	1.8990		1.1669	1.2530	1.2530	1.2530
H3	3.0659	1.1669		2.0228	2.0228	2.0228
H4	1.8134	1.2530	2.0228		1.9922	1.9922
H5	1.8134	1.2530	2.0228	1.9922		1.9922
H6	1.8134	1.2530	2.0228	1.9922	1.9922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.630
Li1	B2	H5	66.630	Li1	B2	H6	66.630
Li1	H4	B2	74.003	Li1	H5	B2	74.003
Li1	H6	B2	74.003	H3	B2	H4	113.370
H3	B2	H5	113.370	H3	B2	H6	113.370
H4	B2	H5	105.306	H4	B2	H6	105.306
H5	B2	H6	105.306

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

using model chemistry: BLYP/STO-3G

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	Li	0.241
2	B	-0.104
3	H	-0.049
4	H	-0.029
5	H	-0.029
6	H	-0.029

	x	y	z	Total
	0.000	0.000	-4.658	4.658
CHELPG
AIM
ESP

<r²>	20.518
(<r²>)^1/2	4.530

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

using model chemistry: BLYP/STO-3G

States and conformations

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