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	hartrees
Energy at 0K	-3850.410033
Energy at 298.15K	-3850.417682
HF Energy	-3850.026192
Nuclear repulsion energy	303.189830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2127	2019	0.00
2	A_g	1671	1587	0.00
3	A_g	776	736	0.00
4	A_g	250	238	0.00
5	A_u	491	466	0.00
6	B_1g	2135	2027	0.00
7	B_1g	506	481	0.00
8	B_1u	1421	1349	232.36
9	B_1u	667	633	159.14
10	B_2g	1479	1404	0.00
11	B_2g	460	437	0.00
12	B_2u	2140	2032	359.93
13	B_2u	848	805	143.37
14	B_2u	236	224	9.74
15	B_3g	822	781	0.00
16	B_3u	2118	2011	151.52
17	B_3u	1488	1413	1064.40
18	B_3u	722	686	517.98

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.266	0.000	0.000
Ga2	-1.266	0.000	0.000
H3	0.000	0.000	1.158
H4	0.000	0.000	-1.158
H5	1.928	1.390	0.000
H6	1.928	-1.390	0.000
H7	-1.928	1.390	0.000
H8	-1.928	-1.390	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5326	1.7161	1.7161	1.5398	1.5398	3.4840	3.4840
Ga2	2.5326		1.7161	1.7161	3.4840	3.4840	1.5398	1.5398
H3	1.7161	1.7161		2.3166	2.6444	2.6444	2.6444	2.6444
H4	1.7161	1.7161	2.3166		2.6444	2.6444	2.6444	2.6444
H5	1.5398	3.4840	2.6444	2.6444		2.7806	3.8565	4.7544
H6	1.5398	3.4840	2.6444	2.6444	2.7806		4.7544	3.8565
H7	3.4840	1.5398	2.6444	2.6444	3.8565	4.7544		2.7806
H8	3.4840	1.5398	2.6444	2.6444	4.7544	3.8565	2.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.449	Ga1	Ga2	H4	42.449
Ga1	Ga2	H7	115.460	Ga1	Ga2	H8	115.460
Ga1	H3	Ga2	95.102	Ga1	H4	Ga2	95.102
Ga2	Ga1	H3	42.449	Ga2	Ga1	H4	42.449
Ga2	Ga1	H5	115.460	Ga2	Ga1	H6	115.460
H3	Ga1	H4	84.898	H3	Ga1	H5	108.494
H3	Ga1	H6	108.494	H3	Ga2	H4	84.898
H3	Ga2	H7	108.494	H3	Ga2	H8	108.494
H4	Ga1	H5	108.494	H4	Ga1	H6	108.494
H4	Ga2	H7	108.494	H4	Ga2	H8	108.494
H5	Ga1	H6	129.080	H7	Ga2	H8	129.080

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)