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	hartrees
Energy at 0K	-3850.469610
Energy at 298.15K	-3850.477184
HF Energy	-3850.027894
Nuclear repulsion energy	300.993751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2064	1987	0.00
2	A_g	1611	1551	0.00
3	A_g	764	735	0.00
4	A_g	242	233	0.00
5	A_u	479	461	0.00
6	B_1g	2070	1992	0.00
7	B_1g	494	475	0.00
8	B_1u	1372	1320	228.49
9	B_1u	656	631	143.52
10	B_2g	1440	1386	0.00
11	B_2g	462	444	0.00
12	B_2u	2076	1998	345.15
13	B_2u	842	810	138.48
14	B_2u	221	212	8.63
15	B_3g	813	782	0.00
16	B_3u	2057	1979	141.80
17	B_3u	1473	1418	1068.18
18	B_3u	709	682	500.00

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.278	0.000	0.000
Ga2	-1.278	0.000	0.000
H3	0.000	0.000	1.156
H4	0.000	0.000	-1.156
H5	1.936	1.396	0.000
H6	1.936	-1.396	0.000
H7	-1.936	1.396	0.000
H8	-1.936	-1.396	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5557	1.7232	1.7232	1.5437	1.5437	3.5044	3.5044
Ga2	2.5557		1.7232	1.7232	3.5044	3.5044	1.5437	1.5437
H3	1.7232	1.7232		2.3122	2.6525	2.6525	2.6525	2.6525
H4	1.7232	1.7232	2.3122		2.6525	2.6525	2.6525	2.6525
H5	1.5437	3.5044	2.6525	2.6525		2.7924	3.8728	4.7745
H6	1.5437	3.5044	2.6525	2.6525	2.7924		4.7745	3.8728
H7	3.5044	1.5437	2.6525	2.6525	3.8728	4.7745		2.7924
H8	3.5044	1.5437	2.6525	2.6525	4.7745	3.8728	2.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.137	Ga1	Ga2	H4	42.137
Ga1	Ga2	H7	115.253	Ga1	Ga2	H8	115.253
Ga1	H3	Ga2	95.726	Ga1	H4	Ga2	95.726
Ga2	Ga1	H3	42.137	Ga2	Ga1	H4	42.137
Ga2	Ga1	H5	115.253	Ga2	Ga1	H6	115.253
H3	Ga1	H4	84.274	H3	Ga1	H5	108.443
H3	Ga1	H6	108.443	H3	Ga2	H4	84.274
H3	Ga2	H7	108.443	H3	Ga2	H8	108.443
H4	Ga1	H5	108.443	H4	Ga1	H6	108.443
H4	Ga2	H7	108.443	H4	Ga2	H8	108.443
H5	Ga1	H6	129.494	H7	Ga2	H8	129.494

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)