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	hartrees
Energy at 0K	-34.756937
Energy at 298.15K	-34.761043
HF Energy	-34.756937
Nuclear repulsion energy	17.345081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2671	2539	116.08
2	A₁	2310	2195	156.06
3	A₁	1242	1180	95.67
4	A₁	691	657	152.97
5	E	2284	2171	349.14
5	E	2284	2171	349.16
6	E	1298	1233	2.83
6	E	1298	1233	2.81
7	E	1127	1072	27.94
7	E	1127	1071	27.89
8	E	504	479	2.15
8	E	503	478	2.15

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.435
B2	0.000	0.000	0.505
H3	0.000	0.000	1.699
H4	0.000	1.147	0.026
H5	0.993	-0.573	0.026
H6	-0.993	-0.573	0.026

	Li1	B2	H3	H4	H5	H6
Li1		1.9405	3.1340	1.8576	1.8576	1.8576
B2	1.9405		1.1935	1.2431	1.2431	1.2431
H3	3.1340	1.1935		2.0282	2.0282	2.0282
H4	1.8576	1.2431	2.0282		1.9866	1.9866
H5	1.8576	1.2431	2.0282	1.9866		1.9866
H6	1.8576	1.2431	2.0282	1.9866	1.9866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.322
Li1	B2	H5	67.322	Li1	B2	H6	67.322
Li1	H4	B2	74.548	Li1	H5	B2	74.548
Li1	H6	B2	74.548	H3	B2	H4	112.678
H3	B2	H5	112.678	H3	B2	H6	112.678
H4	B2	H5	106.083	H4	B2	H6	106.083
H5	B2	H6	106.083

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

using model chemistry: M06-2X/6-31G**

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	0.252
2	B	-0.102
3	H	-0.072
4	H	-0.026
5	H	-0.026
6	H	-0.026

	x	y	z	Total
	0.000	0.000	-5.995	5.995
CHELPG
AIM
ESP

	x	y	z
x	3.522	0.000	0.000
y	0.000	3.503	-0.002
z	0.000	-0.002	4.369

<r²>	21.058
(<r²>)^1/2	4.589

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

using model chemistry: M06-2X/6-31G**

States and conformations

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