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	hartrees
Energy at 0K	-3849.868609
Energy at 298.15K	-3849.875977
HF Energy	-3849.868609
Nuclear repulsion energy	301.946146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2070	1965	0.00
2	A_g	1513	1437	0.00
3	A_g	725	688	0.00
4	A_g	230	219	0.00
5	A_u	479	454	0.00
6	B_1g	2079	1974	0.00
7	B_1g	496	471	0.00
8	B_1u	1304	1238	187.84
9	B_1u	657	623	128.09
10	B_2g	1313	1247	0.00
11	B_2g	422	401	0.00
12	B_2u	2086	1980	326.73
13	B_2u	768	729	114.42
14	B_2u	208	197	3.86
15	B_3g	789	749	0.00
16	B_3u	2064	1959	138.31
17	B_3u	1303	1237	908.00
18	B_3u	663	629	497.98

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.269	0.000	0.000
Ga2	-1.269	0.000	0.000
H3	0.000	0.000	1.195
H4	0.000	0.000	-1.195
H5	1.916	1.404	0.000
H6	1.916	-1.404	0.000
H7	-1.916	1.404	0.000
H8	-1.916	-1.404	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5386	1.7434	1.7434	1.5458	1.5458	3.4809	3.4809
Ga2	2.5386		1.7434	1.7434	3.4809	3.4809	1.5458	1.5458
H3	1.7434	1.7434		2.3902	2.6590	2.6590	2.6590	2.6590
H4	1.7434	1.7434	2.3902		2.6590	2.6590	2.6590	2.6590
H5	1.5458	3.4809	2.6590	2.6590		2.8082	3.8317	4.7506
H6	1.5458	3.4809	2.6590	2.6590	2.8082		4.7506	3.8317
H7	3.4809	1.5458	2.6590	2.6590	3.8317	4.7506		2.8082
H8	3.4809	1.5458	2.6590	2.6590	4.7506	3.8317	2.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.275	Ga1	Ga2	H4	43.275
Ga1	Ga2	H7	114.724	Ga1	Ga2	H8	114.724
Ga1	H3	Ga2	93.449	Ga1	H4	Ga2	93.449
Ga2	Ga1	H3	43.275	Ga2	Ga1	H4	43.275
Ga2	Ga1	H5	114.724	Ga2	Ga1	H6	114.724
H3	Ga1	H4	86.551	H3	Ga1	H5	107.729
H3	Ga1	H6	107.729	H3	Ga2	H4	86.551
H3	Ga2	H7	107.729	H3	Ga2	H8	107.729
H4	Ga1	H5	107.729	H4	Ga1	H6	107.729
H4	Ga2	H7	107.729	H4	Ga2	H8	107.729
H5	Ga1	H6	130.552	H7	Ga2	H8	130.552

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/6-31G*

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	-0.031
2	Ga	-0.031
3	H	0.011
4	H	0.011
5	H	0.010
6	H	0.010
7	H	0.010
8	H	0.010

<r²>	149.657
(<r²>)^1/2	12.233

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)