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	hartrees
Energy at 0K	-3848.751671
Energy at 298.15K	-3848.759070
HF Energy	-3848.751671
Nuclear repulsion energy	300.425730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2031	2008	0.00
2	A_g	1589	1571	0.00
3	A_g	701	693	0.00
4	A_g	230	227	0.00
5	A_u	463	458	0.00
6	B_1g	2044	2021	0.00
7	B_1g	491	485	0.00
8	B_1u	1401	1385	145.61
9	B_1u	632	625	98.53
10	B_2g	1430	1414	0.00
11	B_2g	443	438	0.00
12	B_2u	2051	2028	308.87
13	B_2u	747	739	89.89
14	B_2u	235	232	4.07
15	B_3g	765	756	0.00
16	B_3u	2028	2004	132.94
17	B_3u	1419	1403	827.97
18	B_3u	643	635	386.06

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.275	0.000	0.000
Ga2	-1.275	0.000	0.000
H3	0.000	0.000	1.183
H4	0.000	0.000	-1.183
H5	1.929	1.421	0.000
H6	1.929	-1.421	0.000
H7	-1.929	1.421	0.000
H8	-1.929	-1.421	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5509	1.7399	1.7399	1.5640	1.5640	3.5051	3.5051
Ga2	2.5509		1.7399	1.7399	3.5051	3.5051	1.5640	1.5640
H3	1.7399	1.7399		2.3668	2.6720	2.6720	2.6720	2.6720
H4	1.7399	1.7399	2.3668		2.6720	2.6720	2.6720	2.6720
H5	1.5640	3.5051	2.6720	2.6720		2.8420	3.8573	4.7912
H6	1.5640	3.5051	2.6720	2.6720	2.8420		4.7912	3.8573
H7	3.5051	1.5640	2.6720	2.6720	3.8573	4.7912		2.8420
H8	3.5051	1.5640	2.6720	2.6720	4.7912	3.8573	2.8420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.857	Ga1	Ga2	H4	42.857
Ga1	Ga2	H7	114.688	Ga1	Ga2	H8	114.688
Ga1	H3	Ga2	94.287	Ga1	H4	Ga2	94.287
Ga2	Ga1	H3	42.857	Ga2	Ga1	H4	42.857
Ga2	Ga1	H5	114.688	Ga2	Ga1	H6	114.688
H3	Ga1	H4	85.713	H3	Ga1	H5	107.829
H3	Ga1	H6	107.829	H3	Ga2	H4	85.713
H3	Ga2	H7	107.829	H3	Ga2	H8	107.829
H4	Ga1	H5	107.829	H4	Ga1	H6	107.829
H4	Ga2	H7	107.829	H4	Ga2	H8	107.829
H5	Ga1	H6	130.623	H7	Ga2	H8	130.623

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBE/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	-0.008
2	Ga	-0.008
3	H	0.015
4	H	0.015
5	H	-0.004
6	H	-0.004
7	H	-0.004
8	H	-0.004

<r²>	151.021
(<r²>)^1/2	12.289

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)