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	hartrees
Energy at 0K	-3855.125907
Energy at 298.15K	-3855.133149
HF Energy	-3855.125907
Nuclear repulsion energy	294.088217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1976	1950	0.00
2	A_g	1472	1453	0.00
3	A_g	712	703	0.00
4	A_g	222	219	0.00
5	A_u	442	437	0.00
6	B_1g	1991	1965	0.00
7	B_1g	469	463	0.00
8	B_1u	1222	1206	209.59
9	B_1u	627	619	107.30
10	B_2g	1263	1247	0.00
11	B_2g	380	375	0.00
12	B_2u	1999	1973	368.88
13	B_2u	754	744	115.19
14	B_2u	209	206	4.81
15	B_3g	741	731	0.00
16	B_3u	1972	1947	133.93
17	B_3u	1283	1267	910.88
18	B_3u	653	644	513.89

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.313	0.000	0.000
Ga2	-1.313	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.961	1.416	0.000
H6	1.961	-1.416	0.000
H7	-1.961	1.416	0.000
H8	-1.961	-1.416	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6254	1.7645	1.7645	1.5570	1.5570	3.5666	3.5666
Ga2	2.6254		1.7645	1.7645	3.5666	3.5666	1.5570	1.5570
H3	1.7645	1.7645		2.3583	2.6906	2.6906	2.6906	2.6906
H4	1.7645	1.7645	2.3583		2.6906	2.6906	2.6906	2.6906
H5	1.5570	3.5666	2.6906	2.6906		2.8314	3.9217	4.8370
H6	1.5570	3.5666	2.6906	2.6906	2.8314		4.8370	3.9217
H7	3.5666	1.5570	2.6906	2.6906	3.9217	4.8370		2.8314
H8	3.5666	1.5570	2.6906	2.6906	4.8370	3.9217	2.8314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.702	Ga1	Ga2	H4	41.702
Ga1	Ga2	H7	115.824	Ga1	Ga2	H8	115.824
Ga1	H3	Ga2	96.597	Ga1	H4	Ga2	96.597
Ga2	Ga1	H3	41.702	Ga2	Ga1	H4	41.702
Ga2	Ga1	H5	115.824	Ga2	Ga1	H6	115.824
H3	Ga1	H4	83.403	H3	Ga1	H5	108.980
H3	Ga1	H6	108.980	H3	Ga2	H4	83.403
H3	Ga2	H7	108.980	H3	Ga2	H8	108.980
H4	Ga1	H5	108.980	H4	Ga1	H6	108.980
H4	Ga2	H7	108.980	H4	Ga2	H8	108.980
H5	Ga1	H6	128.351	H7	Ga2	H8	128.351

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	Ga	0.285
2	Ga	0.285
3	H	-0.149
4	H	-0.149
5	H	-0.068
6	H	-0.068
7	H	-0.068
8	H	-0.068

<r²>	157.189
(<r²>)^1/2	12.537

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)