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	hartrees
Energy at 0K	-3849.949807
Energy at 298.15K	-3849.957345
HF Energy	-3849.949807
Nuclear repulsion energy	291.755453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2084	1894	0.00
2	A_g	1572	1429	0.00
3	A_g	791	719	0.00
4	A_g	238	216	0.00
5	A_u	472	429	0.00
6	B_1g	2071	1882	0.00
7	B_1g	495	450	0.00
8	B_1u	1266	1150	432.26
9	B_1u	690	627	211.72
10	B_2g	1333	1211	0.00
11	B_2g	380	345	0.00
12	B_2u	2077	1887	512.73
13	B_2u	876	796	239.63
14	B_2u	238	216	9.34
15	B_3g	823	748	0.00
16	B_3u	2076	1886	139.74
17	B_3u	1412	1283	1387.78
18	B_3u	730	663	791.75

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.325	0.000	0.000
Ga2	-1.325	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.997	1.410	0.000
H6	1.997	-1.410	0.000
H7	-1.997	1.410	0.000
H8	-1.997	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6497	1.7734	1.7734	1.5622	1.5622	3.6090	3.6090
Ga2	2.6497		1.7734	1.7734	3.6090	3.6090	1.5622	1.5622
H3	1.7734	1.7734		2.3578	2.7142	2.7142	2.7142	2.7142
H4	1.7734	1.7734	2.3578		2.7142	2.7142	2.7142	2.7142
H5	1.5622	3.6090	2.7142	2.7142		2.8200	3.9946	4.8897
H6	1.5622	3.6090	2.7142	2.7142	2.8200		4.8897	3.9946
H7	3.6090	1.5622	2.7142	2.7142	3.9946	4.8897		2.8200
H8	3.6090	1.5622	2.7142	2.7142	4.8897	3.9946	2.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.664	Ga1	Ga2	H4	41.664
Ga1	Ga2	H7	115.498	Ga1	Ga2	H8	115.498
Ga1	H3	Ga2	96.673	Ga1	H4	Ga2	96.673
Ga2	Ga1	H3	41.664	Ga2	Ga1	H4	41.664
Ga2	Ga1	H5	115.498	Ga2	Ga1	H6	115.498
H3	Ga1	H4	83.327	H3	Ga1	H5	108.759
H3	Ga1	H6	108.759	H3	Ga2	H4	83.327
H3	Ga2	H7	108.759	H3	Ga2	H8	108.759
H4	Ga1	H5	108.759	H4	Ga1	H6	108.759
H4	Ga2	H7	108.759	H4	Ga2	H8	108.759
H5	Ga1	H6	129.004	H7	Ga2	H8	129.004

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/TZVP

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	0.565
2	Ga	0.565
3	H	-0.234
4	H	-0.234
5	H	-0.165
6	H	-0.165
7	H	-0.165
8	H	-0.165

<r²>	160.506
(<r²>)^1/2	12.669

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)