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	hartrees
Energy at 0K	-3850.037563
Energy at 298.15K	-3850.045088
HF Energy	-3850.037563
Nuclear repulsion energy	292.235795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2076	1886	0.00
2	A_g	1559	1416	0.00
3	A_g	787	715	0.00
4	A_g	237	215	0.00
5	A_u	470	427	0.00
6	B_1g	2062	1874	0.00
7	B_1g	492	447	0.00
8	B_1u	1251	1136	367.62
9	B_1u	688	625	193.76
10	B_2g	1321	1200	0.00
11	B_2g	384	349	0.00
12	B_2u	2069	1879	475.96
13	B_2u	862	783	197.40
14	B_2u	239	217	9.41
15	B_3g	814	739	0.00
16	B_3u	2068	1879	143.22
17	B_3u	1397	1269	1326.23
18	B_3u	726	659	754.83

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.322	0.000	0.000
Ga2	-1.322	0.000	0.000
H3	0.000	0.000	1.182
H4	0.000	0.000	-1.182
H5	1.996	1.408	0.000
H6	1.996	-1.408	0.000
H7	-1.996	1.408	0.000
H8	-1.996	-1.408	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6439	1.7731	1.7731	1.5609	1.5609	3.6044	3.6044
Ga2	2.6439		1.7731	1.7731	3.6044	3.6044	1.5609	1.5609
H3	1.7731	1.7731		2.3632	2.7134	2.7134	2.7134	2.7134
H4	1.7731	1.7731	2.3632		2.7134	2.7134	2.7134	2.7134
H5	1.5609	3.6044	2.7134	2.7134		2.8156	3.9924	4.8853
H6	1.5609	3.6044	2.7134	2.7134	2.8156		4.8853	3.9924
H7	3.6044	1.5609	2.7134	2.7134	3.9924	4.8853		2.8156
H8	3.6044	1.5609	2.7134	2.7134	4.8853	3.9924	2.8156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.791	Ga1	Ga2	H4	41.791
Ga1	Ga2	H7	115.590	Ga1	Ga2	H8	115.590
Ga1	H3	Ga2	96.419	Ga1	H4	Ga2	96.419
Ga2	Ga1	H3	41.791	Ga2	Ga1	H4	41.791
Ga2	Ga1	H5	115.590	Ga2	Ga1	H6	115.590
H3	Ga1	H4	83.581	H3	Ga1	H5	108.787
H3	Ga1	H6	108.787	H3	Ga2	H4	83.581
H3	Ga2	H7	108.787	H3	Ga2	H8	108.787
H4	Ga1	H5	108.787	H4	Ga1	H6	108.787
H4	Ga2	H7	108.787	H4	Ga2	H8	108.787
H5	Ga1	H6	128.819	H7	Ga2	H8	128.819

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/aug-cc-pVQZ

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	0.492
2	Ga	0.492
3	H	-0.199
4	H	-0.199
5	H	-0.146
6	H	-0.146
7	H	-0.146
8	H	-0.146

<r²>	159.879
(<r²>)^1/2	12.644

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)