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	hartrees
Energy at 0K	-3850.528695
Energy at 298.15K	-3850.536445
HF Energy	-3850.023679
Nuclear repulsion energy	307.165155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2193	2082	0.00
2	A_g	1740	1652	0.00
3	A_g	799	759	0.00
4	A_g	257	244	0.00
5	A_u	507	482	0.00
6	B_1g	2201	2090	0.00
7	B_1g	519	493	0.00
8	B_1u	1507	1431	216.37
9	B_1u	665	632	163.30
10	B_2g	1573	1493	0.00
11	B_2g	473	449	0.00
12	B_2u	2206	2095	361.98
13	B_2u	880	835	141.05
14	B_2u	246	234	10.99
15	B_3g	851	808	0.00
16	B_3u	2183	2073	159.97
17	B_3u	1573	1494	1028.80
18	B_3u	748	710	483.37

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.246	0.000	0.000
Ga2	-1.246	0.000	0.000
H3	0.000	0.000	1.149
H4	0.000	0.000	-1.149
H5	1.916	1.384	0.000
H6	1.916	-1.384	0.000
H7	-1.916	1.384	0.000
H8	-1.916	-1.384	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4923	1.6951	1.6951	1.5375	1.5375	3.4514	3.4514
Ga2	2.4923		1.6951	1.6951	3.4514	3.4514	1.5375	1.5375
H3	1.6951	1.6951		2.2983	2.6279	2.6279	2.6279	2.6279
H4	1.6951	1.6951	2.2983		2.6279	2.6279	2.6279	2.6279
H5	1.5375	3.4514	2.6279	2.6279		2.7683	3.8311	4.7266
H6	1.5375	3.4514	2.6279	2.6279	2.7683		4.7266	3.8311
H7	3.4514	1.5375	2.6279	2.6279	3.8311	4.7266		2.7683
H8	3.4514	1.5375	2.6279	2.6279	4.7266	3.8311	2.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.681	Ga1	Ga2	H4	42.681
Ga1	Ga2	H7	115.809	Ga1	Ga2	H8	115.809
Ga1	H3	Ga2	94.638	Ga1	H4	Ga2	94.638
Ga2	Ga1	H3	42.681	Ga2	Ga1	H4	42.681
Ga2	Ga1	H5	115.809	Ga2	Ga1	H6	115.809
H3	Ga1	H4	85.362	H3	Ga1	H5	108.666
H3	Ga1	H6	108.666	H3	Ga2	H4	85.362
H3	Ga2	H7	108.666	H3	Ga2	H8	108.666
H4	Ga1	H5	108.666	H4	Ga1	H6	108.666
H4	Ga2	H7	108.666	H4	Ga2	H8	108.666
H5	Ga1	H6	128.382	H7	Ga2	H8	128.382

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/cc-pVTZ

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)