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	hartrees
Energy at 0K	-3848.666237
Energy at 298.15K	-3848.673467
HF Energy	-3848.666237
Nuclear repulsion energy	302.448204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2009	1993	0.00
2	A_g	1524	1512	0.00
3	A_g	704	699	0.00
4	A_g	231	230	0.00
5	A_u	450	447	0.00
6	B_1g	2025	2009	0.00
7	B_1g	465	461	0.00
8	B_1u	1302	1292	123.29
9	B_1u	621	617	82.10
10	B_2g	1363	1352	0.00
11	B_2g	416	413	0.00
12	B_2u	2032	2016	251.87
13	B_2u	691	686	79.42
14	B_2u	181	180	4.40
15	B_3g	712	707	0.00
16	B_3u	2006	1990	100.90
17	B_3u	1336	1326	726.59
18	B_3u	647	642	379.79

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	1.176
H4	0.000	0.000	-1.176
H5	1.908	1.403	0.000
H6	1.908	-1.403	0.000
H7	-1.908	1.403	0.000
H8	-1.908	-1.403	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5380	1.7304	1.7304	1.5419	1.5419	3.4732	3.4732
Ga2	2.5380		1.7304	1.7304	3.4732	3.4732	1.5419	1.5419
H3	1.7304	1.7304		2.3527	2.6446	2.6446	2.6446	2.6446
H4	1.7304	1.7304	2.3527		2.6446	2.6446	2.6446	2.6446
H5	1.5419	3.4732	2.6446	2.6446		2.8063	3.8165	4.7371
H6	1.5419	3.4732	2.6446	2.6446	2.8063		4.7371	3.8165
H7	3.4732	1.5419	2.6446	2.6446	3.8165	4.7371		2.8063
H8	3.4732	1.5419	2.6446	2.6446	4.7371	3.8165	2.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.831	Ga1	Ga2	H4	42.831
Ga1	Ga2	H7	114.493	Ga1	Ga2	H8	114.493
Ga1	H3	Ga2	94.338	Ga1	H4	Ga2	94.338
Ga2	Ga1	H3	42.831	Ga2	Ga1	H4	42.831
Ga2	Ga1	H5	114.493	Ga2	Ga1	H6	114.493
H3	Ga1	H4	85.662	H3	Ga1	H5	107.701
H3	Ga1	H6	107.701	H3	Ga2	H4	85.662
H3	Ga2	H7	107.701	H3	Ga2	H8	107.701
H4	Ga1	H5	107.701	H4	Ga1	H6	107.701
H4	Ga2	H7	107.701	H4	Ga2	H8	107.701
H5	Ga1	H6	131.013	H7	Ga2	H8	131.013

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: SVWN/aug-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	-1.220
2	Ga	-1.220
3	H	0.431
4	H	0.431
5	H	0.394
6	H	0.394
7	H	0.394
8	H	0.394

<r²>	149.063
(<r²>)^1/2	12.209

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)