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	hartrees
Energy at 0K	-3853.317122
Energy at 298.15K	-3853.324461
HF Energy	-3853.317122
Nuclear repulsion energy	293.297696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1993	1933	0.00
2	A_g	1492	1448	0.00
3	A_g	728	706	0.00
4	A_g	227	220	0.00
5	A_u	455	441	0.00
6	B_1g	2004	1944	0.00
7	B_1g	482	467	0.00
8	B_1u	1227	1190	231.92
9	B_1u	645	625	106.82
10	B_2g	1281	1242	0.00
11	B_2g	388	376	0.00
12	B_2u	2011	1950	332.42
13	B_2u	775	752	121.10
14	B_2u	224	217	4.66
15	B_3g	758	736	0.00
16	B_3u	1989	1930	117.32
17	B_3u	1315	1276	1009.46
18	B_3u	667	647	517.22

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.317	0.000	0.000
Ga2	-1.317	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.969	1.417	0.000
H6	1.969	-1.417	0.000
H7	-1.969	1.417	0.000
H8	-1.969	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6334	1.7681	1.7681	1.5594	1.5594	3.5776	3.5776
Ga2	2.6334		1.7681	1.7681	3.5776	3.5776	1.5594	1.5594
H3	1.7681	1.7681		2.3602	2.6971	2.6971	2.6971	2.6971
H4	1.7681	1.7681	2.3602		2.6971	2.6971	2.6971	2.6971
H5	1.5594	3.5776	2.6971	2.6971		2.8332	3.9370	4.8505
H6	1.5594	3.5776	2.6971	2.6971	2.8332		4.8505	3.9370
H7	3.5776	1.5594	2.6971	2.6971	3.9370	4.8505		2.8332
H8	3.5776	1.5594	2.6971	2.6971	4.8505	3.9370	2.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.868	Ga1	Ga2	H4	41.868
Ga1	Ga2	H7	114.708	Ga1	Ga2	H8	114.708
Ga1	H3	Ga2	96.263	Ga1	H4	Ga2	96.263
Ga2	Ga1	H3	41.868	Ga2	Ga1	H4	41.868
Ga2	Ga1	H5	114.708	Ga2	Ga1	H6	114.708
H3	Ga1	H4	83.737	H3	Ga1	H5	108.136
H3	Ga1	H6	108.136	H3	Ga2	H4	83.737
H3	Ga2	H7	108.136	H3	Ga2	H8	108.136
H4	Ga1	H5	108.136	H4	Ga1	H6	108.136
H4	Ga2	H7	108.136	H4	Ga2	H8	108.136
H5	Ga1	H6	130.584	H7	Ga2	H8	130.584

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYP/cc-pVDZ

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	0.182
2	Ga	0.182
3	H	-0.065
4	H	-0.065
5	H	-0.059
6	H	-0.059
7	H	-0.059
8	H	-0.059

<r²>	158.001
(<r²>)^1/2	12.570

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)