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	hartrees
Energy at 0K	-3852.624457
Energy at 298.15K	-3852.631932
HF Energy	-3852.444700
Nuclear repulsion energy	299.108384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2067	1983	0.00
2	A_g	1571	1507	0.00
3	A_g	760	729	0.00
4	A_g	235	226	0.00
5	A_u	465	446	0.00
6	B_1g	2072	1988	0.00
7	B_1g	487	467	0.00
8	B_1u	1318	1264	220.39
9	B_1u	652	625	135.97
10	B_2g	1387	1330	0.00
11	B_2g	423	406	0.00
12	B_2u	2079	1994	356.78
13	B_2u	808	775	134.42
14	B_2u	218	209	7.29
15	B_3g	787	755	0.00
16	B_3u	2061	1977	133.46
17	B_3u	1412	1355	1027.33
18	B_3u	701	672	529.35

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.288	0.000	0.000
Ga2	-1.288	0.000	0.000
H3	0.000	0.000	1.161
H4	0.000	0.000	-1.161
H5	1.941	1.397	0.000
H6	1.941	-1.397	0.000
H7	-1.941	1.397	0.000
H8	-1.941	-1.397	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5766	1.7339	1.7339	1.5419	1.5419	3.5187	3.5187
Ga2	2.5766		1.7339	1.7339	3.5187	3.5187	1.5419	1.5419
H3	1.7339	1.7339		2.3211	2.6583	2.6583	2.6583	2.6583
H4	1.7339	1.7339	2.3211		2.6583	2.6583	2.6583	2.6583
H5	1.5419	3.5187	2.6583	2.6583		2.7938	3.8825	4.7832
H6	1.5419	3.5187	2.6583	2.6583	2.7938		4.7832	3.8825
H7	3.5187	1.5419	2.6583	2.6583	3.8825	4.7832		2.7938
H8	3.5187	1.5419	2.6583	2.6583	4.7832	3.8825	2.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.013	Ga1	Ga2	H4	42.013
Ga1	Ga2	H7	115.053	Ga1	Ga2	H8	115.053
Ga1	H3	Ga2	95.973	Ga1	H4	Ga2	95.973
Ga2	Ga1	H3	42.013	Ga2	Ga1	H4	42.013
Ga2	Ga1	H5	115.053	Ga2	Ga1	H6	115.053
H3	Ga1	H4	84.027	H3	Ga1	H5	108.338
H3	Ga1	H6	108.338	H3	Ga2	H4	84.027
H3	Ga2	H7	108.338	H3	Ga2	H8	108.338
H4	Ga1	H5	108.338	H4	Ga1	H6	108.338
H4	Ga2	H7	108.338	H4	Ga2	H8	108.338
H5	Ga1	H6	129.894	H7	Ga2	H8	129.894

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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 Ga2H6 (digallane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)