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	hartrees
Energy at 0K	-3853.339833
Energy at 298.15K	-3853.347259
HF Energy	-3853.339833
Nuclear repulsion energy	298.003365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2075	1985	0.00
2	A_g	1536	1469	0.00
3	A_g	748	715	0.00
4	A_g	238	227	0.00
5	A_u	466	446	0.00
6	B_1g	2080	1989	0.00
7	B_1g	490	469	0.00
8	B_1u	1269	1213	233.47
9	B_1u	660	631	126.77
10	B_2g	1300	1244	0.00
11	B_2g	396	379	0.00
12	B_2u	2086	1995	375.54
13	B_2u	791	757	132.66
14	B_2u	223	213	6.81
15	B_3g	783	749	0.00
16	B_3u	2069	1979	139.52
17	B_3u	1319	1261	1009.42
18	B_3u	686	656	562.97

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.300	0.000	0.000
Ga2	-1.300	0.000	0.000
H3	0.000	0.000	1.171
H4	0.000	0.000	-1.171
H5	1.975	1.392	0.000
H6	1.975	-1.392	0.000
H7	-1.975	1.392	0.000
H8	-1.975	-1.392	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5998	1.7496	1.7496	1.5473	1.5473	3.5584	3.5584
Ga2	2.5998		1.7496	1.7496	3.5584	3.5584	1.5473	1.5473
H3	1.7496	1.7496		2.3421	2.6851	2.6851	2.6851	2.6851
H4	1.7496	1.7496	2.3421		2.6851	2.6851	2.6851	2.6851
H5	1.5473	3.5584	2.6851	2.6851		2.7848	3.9495	4.8326
H6	1.5473	3.5584	2.6851	2.6851	2.7848		4.8326	3.9495
H7	3.5584	1.5473	2.6851	2.6851	3.9495	4.8326		2.7848
H8	3.5584	1.5473	2.6851	2.6851	4.8326	3.9495	2.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.015	Ga1	Ga2	H4	42.015
Ga1	Ga2	H7	115.857	Ga1	Ga2	H8	115.857
Ga1	H3	Ga2	95.971	Ga1	H4	Ga2	95.971
Ga2	Ga1	H3	42.015	Ga2	Ga1	H4	42.015
Ga2	Ga1	H5	115.857	Ga2	Ga1	H6	115.857
H3	Ga1	H4	84.029	H3	Ga1	H5	108.907
H3	Ga1	H6	108.907	H3	Ga2	H4	84.029
H3	Ga2	H7	108.907	H3	Ga2	H8	108.907
H4	Ga1	H5	108.907	H4	Ga1	H6	108.907
H4	Ga2	H7	108.907	H4	Ga2	H8	108.907
H5	Ga1	H6	128.286	H7	Ga2	H8	128.286

All results from a given calculation for (digallane)

using model chemistry: wB97X-D/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	0.366
2	Ga	0.366
3	H	-0.130
4	H	-0.130
5	H	-0.118
6	H	-0.118
7	H	-0.118
8	H	-0.118

<r²>	153.498
(<r²>)^1/2	12.389