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	hartrees
Energy at 0K	-3853.907595
Energy at 298.15K	-3853.914906
HF Energy	-3853.907595
Nuclear repulsion energy	297.433932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2033	1946	0.00
2	A_g	1520	1455	0.00
3	A_g	727	696	0.00
4	A_g	231	221	0.00
5	A_u	451	432	0.00
6	B_1g	2042	1955	0.00
7	B_1g	467	447	0.00
8	B_1u	1281	1226	216.62
9	B_1u	644	617	126.74
10	B_2g	1334	1277	0.00
11	B_2g	405	387	0.00
12	B_2u	2049	1961	361.85
13	B_2u	752	720	123.25
14	B_2u	194	186	5.40
15	B_3g	751	718	0.00
16	B_3u	2028	1941	130.31
17	B_3u	1353	1295	981.79
18	B_3u	667	639	517.64

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.946	1.406	0.000
H6	1.946	-1.406	0.000
H7	-1.946	1.406	0.000
H8	-1.946	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5897	1.7517	1.7517	1.5494	1.5494	3.5324	3.5324
Ga2	2.5897		1.7517	1.7517	3.5324	3.5324	1.5494	1.5494
H3	1.7517	1.7517		2.3596	2.6748	2.6748	2.6748	2.6748
H4	1.7517	1.7517	2.3596		2.6748	2.6748	2.6748	2.6748
H5	1.5494	3.5324	2.6748	2.6748		2.8121	3.8914	4.8011
H6	1.5494	3.5324	2.6748	2.6748	2.8121		4.8011	3.8914
H7	3.5324	1.5494	2.6748	2.6748	3.8914	4.8011		2.8121
H8	3.5324	1.5494	2.6748	2.6748	4.8011	3.8914	2.8121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.338	Ga1	Ga2	H4	42.338
Ga1	Ga2	H7	114.839	Ga1	Ga2	H8	114.839
Ga1	H3	Ga2	95.323	Ga1	H4	Ga2	95.323
Ga2	Ga1	H3	42.338	Ga2	Ga1	H4	42.338
Ga2	Ga1	H5	114.839	Ga2	Ga1	H6	114.839
H3	Ga1	H4	84.677	H3	Ga1	H5	108.090
H3	Ga1	H6	108.090	H3	Ga2	H4	84.677
H3	Ga2	H7	108.090	H3	Ga2	H8	108.090
H4	Ga1	H5	108.090	H4	Ga1	H6	108.090
H4	Ga2	H7	108.090	H4	Ga2	H8	108.090
H5	Ga1	H6	130.322	H7	Ga2	H8	130.322

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/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	0.085
2	Ga	0.085
3	H	-0.030
4	H	-0.030
5	H	-0.027
6	H	-0.027
7	H	-0.027
8	H	-0.027

<r²>	153.919
(<r²>)^1/2	12.406

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)