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	hartrees
Energy at 0K	-3849.452374
Energy at 298.15K	-3849.459895
HF Energy	-3849.452374
Nuclear repulsion energy	300.048098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2049	1968	0.00
2	A_g	1603	1540	0.00
3	A_g	733	704	0.00
4	A_g	233	224	0.00
5	A_u	477	458	0.00
6	B_1g	2057	1976	0.00
7	B_1g	505	485	0.00
8	B_1u	1391	1336	186.69
9	B_1u	658	632	119.50
10	B_2g	1429	1373	0.00
11	B_2g	448	430	0.00
12	B_2u	2064	1983	327.46
13	B_2u	797	766	117.48
14	B_2u	251	241	5.05
15	B_3g	801	769	0.00
16	B_3u	2044	1964	130.21
17	B_3u	1443	1387	975.19
18	B_3u	673	647	451.73

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.279	0.000	0.000
Ga2	-1.279	0.000	0.000
H3	0.000	0.000	1.174
H4	0.000	0.000	-1.174
H5	1.938	1.411	0.000
H6	1.938	-1.411	0.000
H7	-1.938	1.411	0.000
H8	-1.938	-1.411	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5585	1.7365	1.7365	1.5573	1.5573	3.5133	3.5133
Ga2	2.5585		1.7365	1.7365	3.5133	3.5133	1.5573	1.5573
H3	1.7365	1.7365		2.3485	2.6695	2.6695	2.6695	2.6695
H4	1.7365	1.7365	2.3485		2.6695	2.6695	2.6695	2.6695
H5	1.5573	3.5133	2.6695	2.6695		2.8220	3.8765	4.7948
H6	1.5573	3.5133	2.6695	2.6695	2.8220		4.7948	3.8765
H7	3.5133	1.5573	2.6695	2.6695	3.8765	4.7948		2.8220
H8	3.5133	1.5573	2.6695	2.6695	4.7948	3.8765	2.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.550	Ga1	Ga2	H4	42.550
Ga1	Ga2	H7	115.034	Ga1	Ga2	H8	115.034
Ga1	H3	Ga2	94.901	Ga1	H4	Ga2	94.901
Ga2	Ga1	H3	42.550	Ga2	Ga1	H4	42.550
Ga2	Ga1	H5	115.034	Ga2	Ga1	H6	115.034
H3	Ga1	H4	85.099	H3	Ga1	H5	108.164
H3	Ga1	H6	108.164	H3	Ga2	H4	85.099
H3	Ga2	H7	108.164	H3	Ga2	H8	108.164
H4	Ga1	H5	108.164	H4	Ga1	H6	108.164
H4	Ga2	H7	108.164	H4	Ga2	H8	108.164
H5	Ga1	H6	129.931	H7	Ga2	H8	129.931

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYPultrafine/6-31G**

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	0.068
2	Ga	0.068
3	H	-0.026
4	H	-0.026
5	H	-0.021
6	H	-0.021
7	H	-0.021
8	H	-0.021

<r²>	151.687
(<r²>)^1/2	12.316

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)