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	hartrees
Energy at 0K	-3852.676395
Energy at 298.15K	-3852.683624
HF Energy	-3852.676395
Nuclear repulsion energy	294.958084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1966	1944	0.00
2	A_g	1473	1456	0.00
3	A_g	703	696	0.00
4	A_g	225	222	0.00
5	A_u	443	438	0.00
6	B_1g	1981	1959	0.00
7	B_1g	469	464	0.00
8	B_1u	1244	1231	193.94
9	B_1u	622	615	99.62
10	B_2g	1291	1277	0.00
11	B_2g	401	397	0.00
12	B_2u	1989	1966	337.03
13	B_2u	721	713	106.07
14	B_2u	200	198	3.95
15	B_3g	721	713	0.00
16	B_3u	1962	1940	123.29
17	B_3u	1297	1283	865.00
18	B_3u	646	639	460.43

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.306	0.000	0.000
Ga2	-1.306	0.000	0.000
H3	0.000	0.000	1.188
H4	0.000	0.000	-1.188
H5	1.955	1.421	0.000
H6	1.955	-1.421	0.000
H7	-1.955	1.421	0.000
H8	-1.955	-1.421	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6121	1.7656	1.7656	1.5623	1.5623	3.5572	3.5572
Ga2	2.6121		1.7656	1.7656	3.5572	3.5572	1.5623	1.5623
H3	1.7656	1.7656		2.3761	2.6931	2.6931	2.6931	2.6931
H4	1.7656	1.7656	2.3761		2.6931	2.6931	2.6931	2.6931
H5	1.5623	3.5572	2.6931	2.6931		2.8423	3.9098	4.8338
H6	1.5623	3.5572	2.6931	2.6931	2.8423		4.8338	3.9098
H7	3.5572	1.5623	2.6931	2.6931	3.9098	4.8338		2.8423
H8	3.5572	1.5623	2.6931	2.6931	4.8338	3.9098	2.8423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.292	Ga1	Ga2	H4	42.292
Ga1	Ga2	H7	114.540	Ga1	Ga2	H8	114.540
Ga1	H3	Ga2	95.417	Ga1	H4	Ga2	95.417
Ga2	Ga1	H3	42.292	Ga2	Ga1	H4	42.292
Ga2	Ga1	H5	114.540	Ga2	Ga1	H6	114.540
H3	Ga1	H4	84.583	H3	Ga1	H5	107.892
H3	Ga1	H6	107.892	H3	Ga2	H4	84.583
H3	Ga2	H7	107.892	H3	Ga2	H8	107.892
H4	Ga1	H5	107.892	H4	Ga1	H6	107.892
H4	Ga2	H7	107.892	H4	Ga2	H8	107.892
H5	Ga1	H6	130.920	H7	Ga2	H8	130.920

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBE/TZVP

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	0.262
2	Ga	0.262
3	H	-0.094
4	H	-0.094
5	H	-0.084
6	H	-0.084
7	H	-0.084
8	H	-0.084

<r²>	156.215
(<r²>)^1/2	12.499

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)