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	hartrees
Energy at 0K	-3807.402835
Energy at 298.15K
HF Energy	-3807.339141
Nuclear repulsion energy	362.553861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2215	2215	0.00
2	A_g	1475	1475	0.00
3	A_g	907	907	0.00
4	A_g	382	382	0.00
5	A_u	669	669	0.00
6	B_1g	2002	2002	0.00
7	B_1g	515	515	0.00
8	B_1u	1263	1263	7.02
9	B_1u	789	789	55.81
10	B_2g	1011	1011	0.00
11	B_2g	144	144	0.00
12	B_2u	1968	1968	57.16
13	B_2u	559	559	3.19
14	B_2u	255i	255i	6.09
15	B_3g	796	796	0.00
16	B_3u	2160	2160	127.33
17	B_3u	944	944	0.01
18	B_3u	720i	720i	167.50

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.030	0.000	0.000
Ga2	-1.030	0.000	0.000
H3	0.000	0.000	1.207
H4	0.000	0.000	-1.207
H5	1.714	1.145	0.000
H6	1.714	-1.145	0.000
H7	-1.714	1.145	0.000
H8	-1.714	-1.145	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0597	1.5865	1.5865	1.3337	1.3337	2.9733	2.9733
Ga2	2.0597		1.5865	1.5865	2.9733	2.9733	1.3337	1.3337
H3	1.5865	1.5865		2.4137	2.3886	2.3886	2.3886	2.3886
H4	1.5865	1.5865	2.4137		2.3886	2.3886	2.3886	2.3886
H5	1.3337	2.9733	2.3886	2.3886		2.2893	3.4286	4.1227
H6	1.3337	2.9733	2.3886	2.3886	2.2893		4.1227	3.4286
H7	2.9733	1.3337	2.3886	2.3886	3.4286	4.1227		2.2893
H8	2.9733	1.3337	2.3886	2.3886	4.1227	3.4286	2.2893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	49.525	Ga1	Ga2	H4	49.525
Ga1	Ga2	H7	120.879	Ga1	Ga2	H8	120.879
Ga1	H3	Ga2	80.950	Ga1	H4	Ga2	80.950
Ga2	Ga1	H3	49.525	Ga2	Ga1	H4	49.525
Ga2	Ga1	H5	120.879	Ga2	Ga1	H6	120.879
H3	Ga1	H4	99.050	H3	Ga1	H5	109.460
H3	Ga1	H6	109.460	H3	Ga2	H4	99.050
H3	Ga2	H7	109.460	H3	Ga2	H8	109.460
H4	Ga1	H5	109.460	H4	Ga1	H6	109.460
H4	Ga2	H7	109.460	H4	Ga2	H8	109.460
H5	Ga1	H6	118.242	H7	Ga2	H8	118.242

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP/STO-3G

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	0.194
2	Ga	0.194
3	H	-0.047
4	H	-0.047
5	H	-0.073
6	H	-0.073
7	H	-0.073
8	H	-0.073

<r²>	110.147
(<r²>)^1/2	10.495

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)