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	hartrees
Energy at 0K	-3850.030205
Energy at 298.15K	-3850.037727
HF Energy	-3850.030205
Nuclear repulsion energy	291.867446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2068	1883	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	2055	1871	0.00
7	B_1g	491	447	0.00
8	B_1u	1247	1136	370.09
9	B_1u	690	628	193.37
10	B_2g	1315	1197	0.00
11	B_2g	383	349	0.00
12	B_2u	2061	1876	478.59
13	B_2u	859	782	199.97
14	B_2u	238	216	9.36
15	B_3g	811	738	0.00
16	B_3u	2060	1876	143.93
17	B_3u	1389	1264	1324.39
18	B_3u	723	658	766.73

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	1.996	1.409	0.000
H6	1.996	-1.409	0.000
H7	-1.996	1.409	0.000
H8	-1.996	-1.409	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6478	1.7759	1.7759	1.5613	1.5613	3.6070	3.6070
Ga2	2.6478		1.7759	1.7759	3.6070	3.6070	1.5613	1.5613
H3	1.7759	1.7759		2.3674	2.7152	2.7152	2.7152	2.7152
H4	1.7759	1.7759	2.3674		2.7152	2.7152	2.7152	2.7152
H5	1.5613	3.6070	2.7152	2.7152		2.8180	3.9929	4.8872
H6	1.5613	3.6070	2.7152	2.7152	2.8180		4.8872	3.9929
H7	3.6070	1.5613	2.7152	2.7152	3.9929	4.8872		2.8180
H8	3.6070	1.5613	2.7152	2.7152	4.8872	3.9929	2.8180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.799	Ga1	Ga2	H4	41.799
Ga1	Ga2	H7	115.516	Ga1	Ga2	H8	115.516
Ga1	H3	Ga2	96.402	Ga1	H4	Ga2	96.402
Ga2	Ga1	H3	41.799	Ga2	Ga1	H4	41.799
Ga2	Ga1	H5	115.516	Ga2	Ga1	H6	115.516
H3	Ga1	H4	83.598	H3	Ga1	H5	108.731
H3	Ga1	H6	108.731	H3	Ga2	H4	83.598
H3	Ga2	H7	108.731	H3	Ga2	H8	108.731
H4	Ga1	H5	108.731	H4	Ga1	H6	108.731
H4	Ga2	H7	108.731	H4	Ga2	H8	108.731
H5	Ga1	H6	128.968	H7	Ga2	H8	128.968

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/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	0.425
2	Ga	0.425
3	H	-0.157
4	H	-0.157
5	H	-0.134
6	H	-0.134
7	H	-0.134
8	H	-0.134

<r²>	160.246
(<r²>)^1/2	12.659

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)