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	hartrees
Energy at 0K	-3848.408890
Energy at 298.15K	-3848.416271
HF Energy	-3848.367256
Nuclear repulsion energy	297.485730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2054	1949	0.00
2	A_g	1484	1408	0.00
3	A_g	735	698	0.00
4	A_g	226	215	0.00
5	A_u	475	451	0.00
6	B_1g	2059	1955	0.00
7	B_1g	499	474	0.00
8	B_1u	1243	1180	216.34
9	B_1u	662	629	134.46
10	B_2g	1273	1208	0.00
11	B_2g	403	383	0.00
12	B_2u	2065	1960	329.91
13	B_2u	791	751	135.19
14	B_2u	225	214	4.65
15	B_3g	793	753	0.00
16	B_3u	2047	1943	133.56
17	B_3u	1291	1225	1018.09
18	B_3u	672	638	550.24

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.293	0.000	0.000
Ga2	-1.293	0.000	0.000
H3	0.000	0.000	1.191
H4	0.000	0.000	-1.191
H5	1.946	1.411	0.000
H6	1.946	-1.411	0.000
H7	-1.946	1.411	0.000
H8	-1.946	-1.411	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5853	1.7578	1.7578	1.5546	1.5546	3.5323	3.5323
Ga2	2.5853		1.7578	1.7578	3.5323	3.5323	1.5546	1.5546
H3	1.7578	1.7578		2.3823	2.6824	2.6824	2.6824	2.6824
H4	1.7578	1.7578	2.3823		2.6824	2.6824	2.6824	2.6824
H5	1.5546	3.5323	2.6824	2.6824		2.8216	3.8914	4.8068
H6	1.5546	3.5323	2.6824	2.6824	2.8216		4.8068	3.8914
H7	3.5323	1.5546	2.6824	2.6824	3.8914	4.8068		2.8216
H8	3.5323	1.5546	2.6824	2.6824	4.8068	3.8914	2.8216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.660	Ga1	Ga2	H4	42.660
Ga1	Ga2	H7	114.839	Ga1	Ga2	H8	114.839
Ga1	H3	Ga2	94.680	Ga1	H4	Ga2	94.680
Ga2	Ga1	H3	42.660	Ga2	Ga1	H4	42.660
Ga2	Ga1	H5	114.839	Ga2	Ga1	H6	114.839
H3	Ga1	H4	85.320	H3	Ga1	H5	107.994
H3	Ga1	H6	107.994	H3	Ga2	H4	85.320
H3	Ga2	H7	107.994	H3	Ga2	H8	107.994
H4	Ga1	H5	107.994	H4	Ga1	H6	107.994
H4	Ga2	H7	107.994	H4	Ga2	H8	107.994
H5	Ga1	H6	130.321	H7	Ga2	H8	130.321

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP/6-31G*

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	0.020
2	Ga	0.020
3	H	-0.026
4	H	-0.026
5	H	0.003
6	H	0.003
7	H	0.003
8	H	0.003

<r²>	154.332
(<r²>)^1/2	12.423

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)