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	hartrees
Energy at 0K	-3848.991984
Energy at 298.15K	-3848.999425
HF Energy	-3848.870511
Nuclear repulsion energy	303.805302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2107	2107	0.00
2	A_g	1618	1618	0.00
3	A_g	717	717	0.00
4	A_g	237	237	0.00
5	A_u	471	471	0.00
6	B_1g	2105	2105	0.00
7	B_1g	480	480	0.00
8	B_1u	1374	1374	212.88
9	B_1u	661	661	142.10
10	B_2g	1428	1428	0.00
11	B_2g	448	448	0.00
12	B_2u	2110	2110	356.91
13	B_2u	791	791	135.83
14	B_2u	210	210	7.30
15	B_3g	786	786	0.00
16	B_3u	2100	2100	128.09
17	B_3u	1449	1449	991.97
18	B_3u	664	664	487.43

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.260	0.000	0.000
Ga2	-1.260	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.919	1.403	0.000
H6	1.919	-1.403	0.000
H7	-1.919	1.403	0.000
H8	-1.919	-1.403	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5204	1.7216	1.7216	1.5498	1.5498	3.4749	3.4749
Ga2	2.5204		1.7216	1.7216	3.4749	3.4749	1.5498	1.5498
H3	1.7216	1.7216		2.3460	2.6507	2.6507	2.6507	2.6507
H4	1.7216	1.7216	2.3460		2.6507	2.6507	2.6507	2.6507
H5	1.5498	3.4749	2.6507	2.6507		2.8055	3.8380	4.7541
H6	1.5498	3.4749	2.6507	2.6507	2.8055		4.7541	3.8380
H7	3.4749	1.5498	2.6507	2.6507	3.8380	4.7541		2.8055
H8	3.4749	1.5498	2.6507	2.6507	4.7541	3.8380	2.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.947	Ga1	Ga2	H4	42.947
Ga1	Ga2	H7	115.157	Ga1	Ga2	H8	115.157
Ga1	H3	Ga2	94.105	Ga1	H4	Ga2	94.105
Ga2	Ga1	H3	42.947	Ga2	Ga1	H4	42.947
Ga2	Ga1	H5	115.157	Ga2	Ga1	H6	115.157
H3	Ga1	H4	85.895	H3	Ga1	H5	108.130
H3	Ga1	H6	108.130	H3	Ga2	H4	85.895
H3	Ga2	H7	108.130	H3	Ga2	H8	108.130
H4	Ga1	H5	108.130	H4	Ga1	H6	108.130
H4	Ga2	H7	108.130	H4	Ga2	H8	108.130
H5	Ga1	H6	129.686	H7	Ga2	H8	129.686

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)