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	hartrees
Energy at 0K	-3853.251532
Energy at 298.15K	-3853.258927
HF Energy	-3853.251532
Nuclear repulsion energy	296.970220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2032	1957	0.00
2	A_g	1532	1476	0.00
3	A_g	734	707	0.00
4	A_g	233	225	0.00
5	A_u	460	443	0.00
6	B_1g	2041	1966	0.00
7	B_1g	482	464	0.00
8	B_1u	1279	1232	215.62
9	B_1u	651	627	122.73
10	B_2g	1329	1280	0.00
11	B_2g	414	399	0.00
12	B_2u	2048	1973	350.43
13	B_2u	769	740	121.31
14	B_2u	221	213	5.55
15	B_3g	761	733	0.00
16	B_3u	2027	1952	128.75
17	B_3u	1346	1297	951.44
18	B_3u	674	649	518.44

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.297	0.000	0.000
Ga2	-1.297	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.948	1.407	0.000
H6	1.948	-1.407	0.000
H7	-1.948	1.407	0.000
H8	-1.948	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5950	1.7522	1.7522	1.5503	1.5503	3.5375	3.5375
Ga2	2.5950		1.7522	1.7522	3.5375	3.5375	1.5503	1.5503
H3	1.7522	1.7522		2.3553	2.6762	2.6762	2.6762	2.6762
H4	1.7522	1.7522	2.3553		2.6762	2.6762	2.6762	2.6762
H5	1.5503	3.5375	2.6762	2.6762		2.8143	3.8963	4.8064
H6	1.5503	3.5375	2.6762	2.6762	2.8143		4.8064	3.8963
H7	3.5375	1.5503	2.6762	2.6762	3.8963	4.8064		2.8143
H8	3.5375	1.5503	2.6762	2.6762	4.8064	3.8963	2.8143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.228	Ga1	Ga2	H4	42.228
Ga1	Ga2	H7	114.816	Ga1	Ga2	H8	114.816
Ga1	H3	Ga2	95.544	Ga1	H4	Ga2	95.544
Ga2	Ga1	H3	42.228	Ga2	Ga1	H4	42.228
Ga2	Ga1	H5	114.816	Ga2	Ga1	H6	114.816
H3	Ga1	H4	84.456	H3	Ga1	H5	108.106
H3	Ga1	H6	108.106	H3	Ga2	H4	84.456
H3	Ga2	H7	108.106	H3	Ga2	H8	108.106
H4	Ga1	H5	108.106	H4	Ga1	H6	108.106
H4	Ga2	H7	108.106	H4	Ga2	H8	108.106
H5	Ga1	H6	130.369	H7	Ga2	H8	130.369

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3PW91/6-311G**

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	0.334
2	Ga	0.334
3	H	-0.112
4	H	-0.112
5	H	-0.111
6	H	-0.111
7	H	-0.111
8	H	-0.111

<r²>	154.351
(<r²>)^1/2	12.424

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)