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	hartrees
Energy at 0K	-3845.201266
Energy at 298.15K	-3845.208502
HF Energy	-3845.201266
Nuclear repulsion energy	308.127612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2062	2029	0.00
2	A_g	1584	1558	0.00
3	A_g	672	661	0.00
4	A_g	233	229	0.00
5	A_u	467	459	0.00
6	B_1g	2073	2039	0.00
7	B_1g	466	459	0.00
8	B_1u	1378	1356	119.91
9	B_1u	632	622	84.32
10	B_2g	1427	1404	0.00
11	B_2g	449	442	0.00
12	B_2u	2079	2046	255.43
13	B_2u	691	680	78.78
14	B_2u	172	169	4.59
15	B_3g	723	711	0.00
16	B_3u	2059	2026	104.54
17	B_3u	1399	1377	702.59
18	B_3u	618	608	346.09

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.238	0.000	0.000
Ga2	-1.238	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.881	1.405	0.000
H6	1.881	-1.405	0.000
H7	-1.881	1.405	0.000
H8	-1.881	-1.405	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4764	1.7089	1.7089	1.5449	1.5449	3.4209	3.4209
Ga2	2.4764		1.7089	1.7089	3.4209	3.4209	1.5449	1.5449
H3	1.7089	1.7089		2.3555	2.6265	2.6265	2.6265	2.6265
H4	1.7089	1.7089	2.3555		2.6265	2.6265	2.6265	2.6265
H5	1.5449	3.4209	2.6265	2.6265		2.8098	3.7619	4.6954
H6	1.5449	3.4209	2.6265	2.6265	2.8098		4.6954	3.7619
H7	3.4209	1.5449	2.6265	2.6265	3.7619	4.6954		2.8098
H8	3.4209	1.5449	2.6265	2.6265	4.6954	3.7619	2.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.567	Ga1	Ga2	H4	43.567
Ga1	Ga2	H7	114.584	Ga1	Ga2	H8	114.584
Ga1	H3	Ga2	92.867	Ga1	H4	Ga2	92.867
Ga2	Ga1	H3	43.567	Ga2	Ga1	H4	43.567
Ga2	Ga1	H5	114.584	Ga2	Ga1	H6	114.584
H3	Ga1	H4	87.133	H3	Ga1	H5	107.544
H3	Ga1	H6	107.544	H3	Ga2	H4	87.133
H3	Ga2	H7	107.544	H3	Ga2	H8	107.544
H4	Ga1	H5	107.544	H4	Ga1	H6	107.544
H4	Ga2	H7	107.544	H4	Ga2	H8	107.544
H5	Ga1	H6	130.832	H7	Ga2	H8	130.832

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.203
2	Ga	-0.203
3	H	0.077
4	H	0.077
5	H	0.063
6	H	0.063
7	H	0.063
8	H	0.063

<r²>	143.848
(<r²>)^1/2	11.994

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)