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	hartrees
Energy at 0K	-3808.128089
Energy at 298.15K
HF Energy	-3808.128089
Nuclear repulsion energy	364.814569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2260	2017	0.00
2	A_g	1466	1308	0.00
3	A_g	936	835	0.00
4	A_g	422	376	0.00
5	A_u	671	599	0.00
6	B_1g	2021	1803	0.00
7	B_1g	542	484	0.00
8	B_1u	1260	1124	9.42
9	B_1u	799	713	45.30
10	B_2g	944	843	0.00
11	B_2g	441i	394i	0.00
12	B_2u	1987	1773	62.89
13	B_2u	559	499	0.99
14	B_2u	201i	180i	9.24
15	B_3g	736	657	0.00
16	B_3u	2205	1968	149.37
17	B_3u	962	858	0.54
18	B_3u	849i	757i	122.33

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.021	0.000	0.000
Ga2	-1.021	0.000	0.000
H3	0.000	0.000	1.233
H4	0.000	0.000	-1.233
H5	1.697	1.140	0.000
H6	1.697	-1.140	0.000
H7	-1.697	1.140	0.000
H8	-1.697	-1.140	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0421	1.6008	1.6008	1.3252	1.3252	2.9475	2.9475
Ga2	2.0421		1.6008	1.6008	2.9475	2.9475	1.3252	1.3252
H3	1.6008	1.6008		2.4656	2.3873	2.3873	2.3873	2.3873
H4	1.6008	1.6008	2.4656		2.3873	2.3873	2.3873	2.3873
H5	1.3252	2.9475	2.3873	2.3873		2.2795	3.3944	4.0888
H6	1.3252	2.9475	2.3873	2.3873	2.2795		4.0888	3.3944
H7	2.9475	1.3252	2.3873	2.3873	3.3944	4.0888		2.2795
H8	2.9475	1.3252	2.3873	2.3873	4.0888	3.3944	2.2795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.367	Ga1	Ga2	H4	50.367
Ga1	Ga2	H7	120.676	Ga1	Ga2	H8	120.676
Ga1	H3	Ga2	79.266	Ga1	H4	Ga2	79.266
Ga2	Ga1	H3	50.367	Ga2	Ga1	H4	50.367
Ga2	Ga1	H5	120.676	Ga2	Ga1	H6	120.676
H3	Ga1	H4	100.734	H3	Ga1	H5	108.992
H3	Ga1	H6	108.992	H3	Ga2	H4	100.734
H3	Ga2	H7	108.992	H3	Ga2	H8	108.992
H4	Ga1	H5	108.992	H4	Ga1	H6	108.992
H4	Ga2	H7	108.992	H4	Ga2	H8	108.992
H5	Ga1	H6	118.647	H7	Ga2	H8	118.647

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYP/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	0.157
2	Ga	0.157
3	H	-0.028
4	H	-0.028
5	H	-0.065
6	H	-0.065
7	H	-0.065
8	H	-0.065

<r²>	109.008
(<r²>)^1/2	10.441

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)