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	hartrees
Energy at 0K	-3850.029557
Energy at 298.15K	-3850.037078
HF Energy	-3850.029557
Nuclear repulsion energy	291.761649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2070	1884	0.00
2	A_g	1555	1415	0.00
3	A_g	785	714	0.00
4	A_g	236	215	0.00
5	A_u	469	427	0.00
6	B_1g	2059	1874	0.00
7	B_1g	492	448	0.00
8	B_1u	1249	1136	386.49
9	B_1u	689	627	197.87
10	B_2g	1315	1197	0.00
11	B_2g	381	347	0.00
12	B_2u	2065	1879	495.57
13	B_2u	861	783	204.21
14	B_2u	238	217	9.57
15	B_3g	812	739	0.00
16	B_3u	2062	1877	148.10
17	B_3u	1389	1265	1333.48
18	B_3u	722	658	770.52

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.324	0.000	0.000
Ga2	-1.324	0.000	0.000
H3	0.000	0.000	1.184
H4	0.000	0.000	-1.184
H5	1.997	1.410	0.000
H6	1.997	-1.410	0.000
H7	-1.997	1.410	0.000
H8	-1.997	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6488	1.7764	1.7764	1.5619	1.5619	3.6082	3.6082
Ga2	2.6488		1.7764	1.7764	3.6082	3.6082	1.5619	1.5619
H3	1.7764	1.7764		2.3678	2.7160	2.7160	2.7160	2.7160
H4	1.7764	1.7764	2.3678		2.7160	2.7160	2.7160	2.7160
H5	1.5619	3.6082	2.7160	2.7160		2.8192	3.9942	4.8889
H6	1.5619	3.6082	2.7160	2.7160	2.8192		4.8889	3.9942
H7	3.6082	1.5619	2.7160	2.7160	3.9942	4.8889		2.8192
H8	3.6082	1.5619	2.7160	2.7160	4.8889	3.9942	2.8192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.793	Ga1	Ga2	H4	41.793
Ga1	Ga2	H7	115.511	Ga1	Ga2	H8	115.511
Ga1	H3	Ga2	96.414	Ga1	H4	Ga2	96.414
Ga2	Ga1	H3	41.793	Ga2	Ga1	H4	41.793
Ga2	Ga1	H5	115.511	Ga2	Ga1	H6	115.511
H3	Ga1	H4	83.586	H3	Ga1	H5	108.729
H3	Ga1	H6	108.729	H3	Ga2	H4	83.586
H3	Ga2	H7	108.729	H3	Ga2	H8	108.729
H4	Ga1	H5	108.729	H4	Ga1	H6	108.729
H4	Ga2	H7	108.729	H4	Ga2	H8	108.729
H5	Ga1	H6	128.978	H7	Ga2	H8	128.978

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/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	0.482
2	Ga	0.482
3	H	-0.191
4	H	-0.191
5	H	-0.145
6	H	-0.145
7	H	-0.145
8	H	-0.145

<r²>	160.385
(<r²>)^1/2	12.664

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)