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	hartrees
Energy at 0K	-3848.803960
Energy at 298.15K	-3848.811490
HF Energy	-3848.803960
Nuclear repulsion energy	302.104179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2080	1986	0.00
2	A_g	1632	1558	0.00
3	A_g	729	696	0.00
4	A_g	238	227	0.00
5	A_u	480	459	0.00
6	B_1g	2088	1994	0.00
7	B_1g	504	481	0.00
8	B_1u	1432	1367	172.76
9	B_1u	658	628	121.11
10	B_2g	1469	1402	0.00
11	B_2g	458	437	0.00
12	B_2u	2095	2000	323.61
13	B_2u	784	749	107.98
14	B_2u	243	232	5.06
15	B_3g	797	761	0.00
16	B_3u	2075	1982	136.13
17	B_3u	1468	1402	926.89
18	B_3u	670	639	435.31

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	1.179
H4	0.000	0.000	-1.179
H5	1.922	1.412	0.000
H6	1.922	-1.412	0.000
H7	-1.922	1.412	0.000
H8	-1.922	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5359	1.7314	1.7314	1.5558	1.5558	3.4886	3.4886
Ga2	2.5359		1.7314	1.7314	3.4886	3.4886	1.5558	1.5558
H3	1.7314	1.7314		2.3579	2.6604	2.6604	2.6604	2.6604
H4	1.7314	1.7314	2.3579		2.6604	2.6604	2.6604	2.6604
H5	1.5558	3.4886	2.6604	2.6604		2.8231	3.8446	4.7698
H6	1.5558	3.4886	2.6604	2.6604	2.8231		4.7698	3.8446
H7	3.4886	1.5558	2.6604	2.6604	3.8446	4.7698		2.8231
H8	3.4886	1.5558	2.6604	2.6604	4.7698	3.8446	2.8231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.916	Ga1	Ga2	H4	42.916
Ga1	Ga2	H7	114.870	Ga1	Ga2	H8	114.870
Ga1	H3	Ga2	94.168	Ga1	H4	Ga2	94.168
Ga2	Ga1	H3	42.916	Ga2	Ga1	H4	42.916
Ga2	Ga1	H5	114.870	Ga2	Ga1	H6	114.870
H3	Ga1	H4	85.832	H3	Ga1	H5	107.939
H3	Ga1	H6	107.939	H3	Ga2	H4	85.832
H3	Ga2	H7	107.939	H3	Ga2	H8	107.939
H4	Ga1	H5	107.939	H4	Ga1	H6	107.939
H4	Ga2	H7	107.939	H4	Ga2	H8	107.939
H5	Ga1	H6	130.260	H7	Ga2	H8	130.260

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/6-31+G**

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	0.049
2	Ga	0.049
3	H	-0.013
4	H	-0.013
5	H	-0.018
6	H	-0.018
7	H	-0.018
8	H	-0.018

<r²>	149.611
(<r²>)^1/2	12.232

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)