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	hartrees
Energy at 0K	-3852.683120
Energy at 298.15K	-3852.690527
HF Energy	-3852.683120
Nuclear repulsion energy	297.532193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2039	1958	0.00
2	A_g	1538	1477	0.00
3	A_g	736	706	0.00
4	A_g	235	225	0.00
5	A_u	464	445	0.00
6	B_1g	2048	1967	0.00
7	B_1g	484	465	0.00
8	B_1u	1287	1236	210.09
9	B_1u	653	627	122.44
10	B_2g	1340	1287	0.00
11	B_2g	418	402	0.00
12	B_2u	2055	1974	340.49
13	B_2u	768	737	119.85
14	B_2u	219	210	5.63
15	B_3g	762	732	0.00
16	B_3u	2034	1954	125.65
17	B_3u	1356	1302	948.18
18	B_3u	676	649	512.66

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.294	0.000	0.000
Ga2	-1.294	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.945	1.407	0.000
H6	1.945	-1.407	0.000
H7	-1.945	1.407	0.000
H8	-1.945	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5885	1.7506	1.7506	1.5502	1.5502	3.5316	3.5316
Ga2	2.5885		1.7506	1.7506	3.5316	3.5316	1.5502	1.5502
H3	1.7506	1.7506		2.3576	2.6743	2.6743	2.6743	2.6743
H4	1.7506	1.7506	2.3576		2.6743	2.6743	2.6743	2.6743
H5	1.5502	3.5316	2.6743	2.6743		2.8140	3.8899	4.8010
H6	1.5502	3.5316	2.6743	2.6743	2.8140		4.8010	3.8899
H7	3.5316	1.5502	2.6743	2.6743	3.8899	4.8010		2.8140
H8	3.5316	1.5502	2.6743	2.6743	4.8010	3.8899	2.8140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.327	Ga1	Ga2	H4	42.327
Ga1	Ga2	H7	114.819	Ga1	Ga2	H8	114.819
Ga1	H3	Ga2	95.346	Ga1	H4	Ga2	95.346
Ga2	Ga1	H3	42.327	Ga2	Ga1	H4	42.327
Ga2	Ga1	H5	114.819	Ga2	Ga1	H6	114.819
H3	Ga1	H4	84.654	H3	Ga1	H5	108.079
H3	Ga1	H6	108.079	H3	Ga2	H4	84.654
H3	Ga2	H7	108.079	H3	Ga2	H8	108.079
H4	Ga1	H5	108.079	H4	Ga1	H6	108.079
H4	Ga2	H7	108.079	H4	Ga2	H8	108.079
H5	Ga1	H6	130.361	H7	Ga2	H8	130.361

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/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	0.315
2	Ga	0.315
3	H	-0.106
4	H	-0.106
5	H	-0.105
6	H	-0.105
7	H	-0.105
8	H	-0.105

<r²>	153.871
(<r²>)^1/2	12.404

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)