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	hartrees
Energy at 0K	-3850.140436
Energy at 298.15K	-3850.147893
HF Energy	-3849.882783
Nuclear repulsion energy	297.823255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2059	1995	0.00
2	A_g	1566	1518	0.00
3	A_g	750	727	0.00
4	A_g	242	235	0.00
5	A_u	462	448	0.00
6	B_1g	2052	1989	0.00
7	B_1g	479	464	0.00
8	B_1u	1281	1241	262.62
9	B_1u	675	654	156.04
10	B_2g	1360	1318	0.00
11	B_2g	431	418	0.00
12	B_2u	2057	1993	372.55
13	B_2u	790	766	156.11
14	B_2u	212	206	7.92
15	B_3g	760	737	0.00
16	B_3u	2051	1988	132.06
17	B_3u	1401	1358	1124.74
18	B_3u	686	665	587.88

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.165
H4	0.000	0.000	-1.165
H5	1.939	1.406	0.000
H6	1.939	-1.406	0.000
H7	-1.939	1.406	0.000
H8	-1.939	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5892	1.7413	1.7413	1.5463	1.5463	3.5256	3.5256
Ga2	2.5892		1.7413	1.7413	3.5256	3.5256	1.5463	1.5463
H3	1.7413	1.7413		2.3291	2.6628	2.6628	2.6628	2.6628
H4	1.7413	1.7413	2.3291		2.6628	2.6628	2.6628	2.6628
H5	1.5463	3.5256	2.6628	2.6628		2.8116	3.8772	4.7893
H6	1.5463	3.5256	2.6628	2.6628	2.8116		4.7893	3.8772
H7	3.5256	1.5463	2.6628	2.6628	3.8772	4.7893		2.8116
H8	3.5256	1.5463	2.6628	2.6628	4.7893	3.8772	2.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.973	Ga1	Ga2	H4	41.973
Ga1	Ga2	H7	114.612	Ga1	Ga2	H8	114.612
Ga1	H3	Ga2	96.054	Ga1	H4	Ga2	96.054
Ga2	Ga1	H3	41.973	Ga2	Ga1	H4	41.973
Ga2	Ga1	H5	114.612	Ga2	Ga1	H6	114.612
H3	Ga1	H4	83.946	H3	Ga1	H5	108.037
H3	Ga1	H6	108.037	H3	Ga2	H4	83.946
H3	Ga2	H7	108.037	H3	Ga2	H8	108.037
H4	Ga1	H5	108.037	H4	Ga1	H6	108.037
H4	Ga2	H7	108.037	H4	Ga2	H8	108.037
H5	Ga1	H6	130.776	H7	Ga2	H8	130.776

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)