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	hartrees
Energy at 0K	-3852.691323
Energy at 298.15K	-3852.698695
HF Energy	-3852.691323
Nuclear repulsion energy	296.780729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2024	1948	0.00
2	A_g	1523	1465	0.00
3	A_g	728	700	0.00
4	A_g	232	223	0.00
5	A_u	461	444	0.00
6	B_1g	2032	1955	0.00
7	B_1g	481	463	0.00
8	B_1u	1275	1226	194.48
9	B_1u	648	624	114.99
10	B_2g	1325	1275	0.00
11	B_2g	409	394	0.00
12	B_2u	2039	1962	332.16
13	B_2u	759	730	114.93
14	B_2u	213	205	5.57
15	B_3g	756	727	0.00
16	B_3u	2020	1943	119.19
17	B_3u	1341	1290	943.03
18	B_3u	667	642	503.43

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.297	0.000	0.000
Ga2	-1.297	0.000	0.000
H3	0.000	0.000	1.183
H4	0.000	0.000	-1.183
H5	1.947	1.412	0.000
H6	1.947	-1.412	0.000
H7	-1.947	1.412	0.000
H8	-1.947	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5947	1.7558	1.7558	1.5548	1.5548	3.5389	3.5389
Ga2	2.5947		1.7558	1.7558	3.5389	3.5389	1.5548	1.5548
H3	1.7558	1.7558		2.3664	2.6809	2.6809	2.6809	2.6809
H4	1.7558	1.7558	2.3664		2.6809	2.6809	2.6809	2.6809
H5	1.5548	3.5389	2.6809	2.6809		2.8247	3.8949	4.8114
H6	1.5548	3.5389	2.6809	2.6809	2.8247		4.8114	3.8949
H7	3.5389	1.5548	2.6809	2.6809	3.8949	4.8114		2.8247
H8	3.5389	1.5548	2.6809	2.6809	4.8114	3.8949	2.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.366	Ga1	Ga2	H4	42.366
Ga1	Ga2	H7	114.718	Ga1	Ga2	H8	114.718
Ga1	H3	Ga2	95.269	Ga1	H4	Ga2	95.269
Ga2	Ga1	H3	42.366	Ga2	Ga1	H4	42.366
Ga2	Ga1	H5	114.718	Ga2	Ga1	H6	114.718
H3	Ga1	H4	84.731	H3	Ga1	H5	107.996
H3	Ga1	H6	107.996	H3	Ga2	H4	84.731
H3	Ga2	H7	107.996	H3	Ga2	H8	107.996
H4	Ga1	H5	107.996	H4	Ga1	H6	107.996
H4	Ga2	H7	107.996	H4	Ga2	H8	107.996
H5	Ga1	H6	130.565	H7	Ga2	H8	130.565

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/aug-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	-0.613
2	Ga	-0.613
3	H	0.220
4	H	0.220
5	H	0.197
6	H	0.197
7	H	0.197
8	H	0.197

<r²>	154.550
(<r²>)^1/2	12.432

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)