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	hartrees
Energy at 0K	-3834.249664
Energy at 298.15K	-3834.256852
HF Energy	-3834.249664
Nuclear repulsion energy	294.811761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1962	1883	0.00
2	A_g	1489	1429	0.00
3	A_g	714	685	0.00
4	A_g	229	220	0.00
5	A_u	439	421	0.00
6	B_1g	1968	1889	0.00
7	B_1g	469	450	0.00
8	B_1u	1283	1231	188.16
9	B_1u	621	596	101.71
10	B_2g	1296	1244	0.00
11	B_2g	383	368	0.00
12	B_2u	1975	1896	317.69
13	B_2u	734	704	109.19
14	B_2u	183	175	3.58
15	B_3g	730	701	0.00
16	B_3u	1956	1877	122.16
17	B_3u	1314	1261	1013.01
18	B_3u	661	635	440.12

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.302	0.000	0.000
Ga2	-1.302	0.000	0.000
H3	0.000	0.000	1.217
H4	0.000	0.000	-1.217
H5	1.967	1.427	0.000
H6	1.967	-1.427	0.000
H7	-1.967	1.427	0.000
H8	-1.967	-1.427	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6041	1.7821	1.7821	1.5744	1.5744	3.5669	3.5669
Ga2	2.6041		1.7821	1.7821	3.5669	3.5669	1.5744	1.5744
H3	1.7821	1.7821		2.4336	2.7177	2.7177	2.7177	2.7177
H4	1.7821	1.7821	2.4336		2.7177	2.7177	2.7177	2.7177
H5	1.5744	3.5669	2.7177	2.7177		2.8542	3.9338	4.8601
H6	1.5744	3.5669	2.7177	2.7177	2.8542		4.8601	3.9338
H7	3.5669	1.5744	2.7177	2.7177	3.9338	4.8601		2.8542
H8	3.5669	1.5744	2.7177	2.7177	4.8601	3.9338	2.8542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.062	Ga1	Ga2	H4	43.062
Ga1	Ga2	H7	114.979	Ga1	Ga2	H8	114.979
Ga1	H3	Ga2	93.877	Ga1	H4	Ga2	93.877
Ga2	Ga1	H3	43.062	Ga2	Ga1	H4	43.062
Ga2	Ga1	H5	114.979	Ga2	Ga1	H6	114.979
H3	Ga1	H4	86.123	H3	Ga1	H5	107.971
H3	Ga1	H6	107.971	H3	Ga2	H4	86.123
H3	Ga2	H7	107.971	H3	Ga2	H8	107.971
H4	Ga1	H5	107.971	H4	Ga1	H6	107.971
H4	Ga2	H7	107.971	H4	Ga2	H8	107.971
H5	Ga1	H6	130.042	H7	Ga2	H8	130.042

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBE1PBE/3-21G*

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	-0.093
2	Ga	-0.093
3	H	-0.002
4	H	-0.002
5	H	0.048
6	H	0.048
7	H	0.048
8	H	0.048

<r²>	156.074
(<r²>)^1/2	12.493

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)