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	hartrees
Energy at 0K	-3853.242830
Energy at 298.15K	-3853.250173
HF Energy	-3853.242830
Nuclear repulsion energy	295.664681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2025	1949	0.00
2	A_g	1502	1446	0.00
3	A_g	725	698	0.00
4	A_g	230	222	0.00
5	A_u	458	441	0.00
6	B_1g	2036	1960	0.00
7	B_1g	480	462	0.00
8	B_1u	1260	1213	216.41
9	B_1u	647	623	124.17
10	B_2g	1311	1262	0.00
11	B_2g	407	392	0.00
12	B_2u	2043	1967	358.42
13	B_2u	768	739	124.53
14	B_2u	215	207	5.09
15	B_3g	764	735	0.00
16	B_3u	2020	1944	128.43
17	B_3u	1332	1283	980.58
18	B_3u	664	639	528.08

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.304	0.000	0.000
Ga2	-1.304	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.951	1.412	0.000
H6	1.951	-1.412	0.000
H7	-1.951	1.412	0.000
H8	-1.951	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6089	1.7581	1.7581	1.5529	1.5529	3.5484	3.5484
Ga2	2.6089		1.7581	1.7581	3.5484	3.5484	1.5529	1.5529
H3	1.7581	1.7581		2.3575	2.6813	2.6813	2.6813	2.6813
H4	1.7581	1.7581	2.3575		2.6813	2.6813	2.6813	2.6813
H5	1.5529	3.5484	2.6813	2.6813		2.8237	3.9020	4.8165
H6	1.5529	3.5484	2.6813	2.6813	2.8237		4.8165	3.9020
H7	3.5484	1.5529	2.6813	2.6813	3.9020	4.8165		2.8237
H8	3.5484	1.5529	2.6813	2.6813	4.8165	3.9020	2.8237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.102	Ga1	Ga2	H4	42.102
Ga1	Ga2	H7	114.605	Ga1	Ga2	H8	114.605
Ga1	H3	Ga2	95.796	Ga1	H4	Ga2	95.796
Ga2	Ga1	H3	42.102	Ga2	Ga1	H4	42.102
Ga2	Ga1	H5	114.605	Ga2	Ga1	H6	114.605
H3	Ga1	H4	84.204	H3	Ga1	H5	107.994
H3	Ga1	H6	107.994	H3	Ga2	H4	84.204
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	130.789	H7	Ga2	H8	130.789

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3PW91/6-311G*

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	0.134
2	Ga	0.134
3	H	-0.029
4	H	-0.029
5	H	-0.053
6	H	-0.053
7	H	-0.053
8	H	-0.053

<r²>	155.634
(<r²>)^1/2	12.475

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)