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	hartrees
Energy at 0K	-3850.653093
Energy at 298.15K	-3850.660541
HF Energy	-3849.948965
Nuclear repulsion energy	296.971642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2056	1948	0.00
2	A_g	1561	1479	0.00
3	A_g	758	718	0.00
4	A_g	243	230	0.00
5	A_u	460	436	0.00
6	B_1g	2061	1953	0.00
7	B_1g	479	454	0.00
8	B_1u	1280	1213	280.68
9	B_1u	655	621	157.75
10	B_2g	1342	1271	0.00
11	B_2g	406	385	0.00
12	B_2u	2066	1958	366.67
13	B_2u	803	761	168.92
14	B_2u	223	211	7.42
15	B_3g	775	734	0.00
16	B_3u	2049	1942	122.52
17	B_3u	1389	1316	1148.00
18	B_3u	703	666	577.49

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.299	0.000	0.000
Ga2	-1.299	0.000	0.000
H3	0.000	0.000	1.167
H4	0.000	0.000	-1.167
H5	1.952	1.404	0.000
H6	1.952	-1.404	0.000
H7	-1.952	1.404	0.000
H8	-1.952	-1.404	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5972	1.7461	1.7461	1.5483	1.5483	3.5406	3.5406
Ga2	2.5972		1.7461	1.7461	3.5406	3.5406	1.5483	1.5483
H3	1.7461	1.7461		2.3344	2.6725	2.6725	2.6725	2.6725
H4	1.7461	1.7461	2.3344		2.6725	2.6725	2.6725	2.6725
H5	1.5483	3.5406	2.6725	2.6725		2.8077	3.9035	4.8084
H6	1.5483	3.5406	2.6725	2.6725	2.8077		4.8084	3.9035
H7	3.5406	1.5483	2.6725	2.6725	3.9035	4.8084		2.8077
H8	3.5406	1.5483	2.6725	2.6725	4.8084	3.9035	2.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.949	Ga1	Ga2	H4	41.949
Ga1	Ga2	H7	114.949	Ga1	Ga2	H8	114.949
Ga1	H3	Ga2	96.102	Ga1	H4	Ga2	96.102
Ga2	Ga1	H3	41.949	Ga2	Ga1	H4	41.949
Ga2	Ga1	H5	114.949	Ga2	Ga1	H6	114.949
H3	Ga1	H4	83.898	H3	Ga1	H5	108.284
H3	Ga1	H6	108.284	H3	Ga2	H4	83.898
H3	Ga2	H7	108.284	H3	Ga2	H8	108.284
H4	Ga1	H5	108.284	H4	Ga1	H6	108.284
H4	Ga2	H7	108.284	H4	Ga2	H8	108.284
H5	Ga1	H6	130.101	H7	Ga2	H8	130.101

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD=FULL/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 Ga2H6 (digallane)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)