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	hartrees
Energy at 0K	-34.635411
Energy at 298.15K	-34.639463
HF Energy	-34.462860
Nuclear repulsion energy	17.343729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2636	2539
2	A₁	2280	2196
3	A₁	1268	1221
4	A₁	690	665
5	E	2250	2167
5	E	2250	2167
6	E	1292	1244
6	E	1292	1244
7	E	1148	1106
7	E	1148	1106
8	E	460	443
8	E	460	443

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.431
B2	0.000	0.000	0.508
H3	0.000	0.000	1.702
H4	0.000	1.146	0.016
H5	0.992	-0.573	0.016
H6	-0.992	-0.573	0.016

	Li1	B2	H3	H4	H5	H6
Li1		1.9391	3.1334	1.8458	1.8458	1.8458
B2	1.9391		1.1943	1.2467	1.2467	1.2467
H3	3.1334	1.1943		2.0384	2.0384	2.0384
H4	1.8458	1.2467	2.0384		1.9842	1.9842
H5	1.8458	1.2467	2.0384	1.9842		1.9842
H6	1.8458	1.2467	2.0384	1.9842	1.9842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.766
Li1	B2	H5	66.766	Li1	B2	H6	66.766
Li1	H4	B2	74.871	Li1	H5	B2	74.871
Li1	H6	B2	74.871	H3	B2	H4	113.234
H3	B2	H5	113.234	H3	B2	H6	113.234
H4	B2	H5	105.460	H4	B2	H6	105.460
H5	B2	H6	105.460

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

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

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