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	hartrees
Energy at 0K	-3850.462977
Energy at 298.15K	-3850.470473
HF Energy	-3849.952919
Nuclear repulsion energy	299.988590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2085	1984	0.00
2	A_g	1582	1505	0.00
3	A_g	755	718	0.00
4	A_g	244	233	0.00
5	A_u	479	456	0.00
6	B_1g	2091	1990	0.00
7	B_1g	492	468	0.00
8	B_1u	1313	1249	246.72
9	B_1u	673	641	156.86
10	B_2g	1374	1308	0.00
11	B_2g	421	401	0.00
12	B_2u	2096	1995	348.95
13	B_2u	805	766	145.99
14	B_2u	220	209	7.52
15	B_3g	795	756	0.00
16	B_3u	2079	1978	128.59
17	B_3u	1397	1329	1083.41
18	B_3u	697	663	564.34

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	1.166
H4	0.000	0.000	-1.166
H5	1.966	1.383	0.000
H6	1.966	-1.383	0.000
H7	-1.966	1.383	0.000
H8	-1.966	-1.383	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5903	1.7428	1.7428	1.5372	1.5372	3.5425	3.5425
Ga2	2.5903		1.7428	1.7428	3.5425	3.5425	1.5372	1.5372
H3	1.7428	1.7428		2.3325	2.6719	2.6719	2.6719	2.6719
H4	1.7428	1.7428	2.3325		2.6719	2.6719	2.6719	2.6719
H5	1.5372	3.5425	2.6719	2.6719		2.7661	3.9324	4.8078
H6	1.5372	3.5425	2.6719	2.6719	2.7661		4.8078	3.9324
H7	3.5425	1.5372	2.6719	2.6719	3.9324	4.8078		2.7661
H8	3.5425	1.5372	2.6719	2.6719	4.8078	3.9324	2.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.003	Ga1	Ga2	H4	42.003
Ga1	Ga2	H7	115.883	Ga1	Ga2	H8	115.883
Ga1	H3	Ga2	95.995	Ga1	H4	Ga2	95.995
Ga2	Ga1	H3	42.003	Ga2	Ga1	H4	42.003
Ga2	Ga1	H5	115.883	Ga2	Ga1	H6	115.883
H3	Ga1	H4	84.005	H3	Ga1	H5	108.929
H3	Ga1	H6	108.929	H3	Ga2	H4	84.005
H3	Ga2	H7	108.929	H3	Ga2	H8	108.929
H4	Ga1	H5	108.929	H4	Ga1	H6	108.929
H4	Ga2	H7	108.929	H4	Ga2	H8	108.929
H5	Ga1	H6	128.234	H7	Ga2	H8	128.234

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)