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	hartrees
Energy at 0K	-3849.856515
Energy at 298.15K	-3849.863854
HF Energy	-3849.856515
Nuclear repulsion energy	302.240714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2077	1997	0.00
2	A_g	1576	1516	0.00
3	A_g	705	678	0.00
4	A_g	231	222	0.00
5	A_u	459	441	0.00
6	B_1g	2079	1999	0.00
7	B_1g	470	452	0.00
8	B_1u	1340	1288	203.66
9	B_1u	649	624	124.99
10	B_2g	1390	1336	0.00
11	B_2g	436	419	0.00
12	B_2u	2085	2004	357.74
13	B_2u	756	727	121.01
14	B_2u	200	193	5.91
15	B_3g	756	727	0.00
16	B_3u	2071	1991	130.82
17	B_3u	1400	1346	922.85
18	B_3u	648	623	468.13

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.268	0.000	0.000
Ga2	-1.268	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.922	1.406	0.000
H6	1.922	-1.406	0.000
H7	-1.922	1.406	0.000
H8	-1.922	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5366	1.7300	1.7300	1.5507	1.5507	3.4863	3.4863
Ga2	2.5366		1.7300	1.7300	3.4863	3.4863	1.5507	1.5507
H3	1.7300	1.7300		2.3531	2.6561	2.6561	2.6561	2.6561
H4	1.7300	1.7300	2.3531		2.6561	2.6561	2.6561	2.6561
H5	1.5507	3.4863	2.6561	2.6561		2.8127	3.8434	4.7627
H6	1.5507	3.4863	2.6561	2.6561	2.8127		4.7627	3.8434
H7	3.4863	1.5507	2.6561	2.6561	3.8434	4.7627		2.8127
H8	3.4863	1.5507	2.6561	2.6561	4.7627	3.8434	2.8127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.851	Ga1	Ga2	H4	42.851
Ga1	Ga2	H7	114.921	Ga1	Ga2	H8	114.921
Ga1	H3	Ga2	94.298	Ga1	H4	Ga2	94.298
Ga2	Ga1	H3	42.851	Ga2	Ga1	H4	42.851
Ga2	Ga1	H5	114.921	Ga2	Ga1	H6	114.921
H3	Ga1	H4	85.702	H3	Ga1	H5	107.994
H3	Ga1	H6	107.994	H3	Ga2	H4	85.702
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	130.158	H7	Ga2	H8	130.158

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.002
2	Ga	-0.002
3	H	-0.013
4	H	-0.013
5	H	0.008
6	H	0.008
7	H	0.008
8	H	0.008

<r²>	149.256
(<r²>)^1/2	12.217

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)