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	hartrees
Energy at 0K	-3853.472083
Energy at 298.15K	-3853.479278
HF Energy	-3853.472083
Nuclear repulsion energy	292.373292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1960	1954	0.00
2	A_g	1450	1446	0.00
3	A_g	708	706	0.00
4	A_g	218	217	0.00
5	A_u	431	430	0.00
6	B_1g	1974	1967	0.00
7	B_1g	464	463	0.00
8	B_1u	1191	1187	201.11
9	B_1u	620	618	103.08
10	B_2g	1245	1241	0.00
11	B_2g	364	363	0.00
12	B_2u	1982	1975	352.92
13	B_2u	745	742	115.36
14	B_2u	213	212	4.77
15	B_3g	731	728	0.00
16	B_3u	1957	1951	125.42
17	B_3u	1268	1264	906.40
18	B_3u	647	645	516.71

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.323	0.000	0.000
Ga2	-1.323	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.970	1.418	0.000
H6	1.970	-1.418	0.000
H7	-1.970	1.418	0.000
H8	-1.970	-1.418	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6450	1.7706	1.7706	1.5589	1.5589	3.5852	3.5852
Ga2	2.6450		1.7706	1.7706	3.5852	3.5852	1.5589	1.5589
H3	1.7706	1.7706		2.3546	2.6979	2.6979	2.6979	2.6979
H4	1.7706	1.7706	2.3546		2.6979	2.6979	2.6979	2.6979
H5	1.5589	3.5852	2.6979	2.6979		2.8357	3.9409	4.8550
H6	1.5589	3.5852	2.6979	2.6979	2.8357		4.8550	3.9409
H7	3.5852	1.5589	2.6979	2.6979	3.9409	4.8550		2.8357
H8	3.5852	1.5589	2.6979	2.6979	4.8550	3.9409	2.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.676	Ga1	Ga2	H4	41.676
Ga1	Ga2	H7	114.560	Ga1	Ga2	H8	114.560
Ga1	H3	Ga2	96.649	Ga1	H4	Ga2	96.649
Ga2	Ga1	H3	41.676	Ga2	Ga1	H4	41.676
Ga2	Ga1	H5	114.560	Ga2	Ga1	H6	114.560
H3	Ga1	H4	83.351	H3	Ga1	H5	108.086
H3	Ga1	H6	108.086	H3	Ga2	H4	83.351
H3	Ga2	H7	108.086	H3	Ga2	H8	108.086
H4	Ga1	H5	108.086	H4	Ga1	H6	108.086
H4	Ga2	H7	108.086	H4	Ga2	H8	108.086
H5	Ga1	H6	130.881	H7	Ga2	H8	130.881

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	Ga	-1.216
2	Ga	-1.216
3	H	0.376
4	H	0.376
5	H	0.420
6	H	0.420
7	H	0.420
8	H	0.420

<r²>	159.254
(<r²>)^1/2	12.620

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)