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	hartrees
Energy at 0K	-3853.192430
Energy at 298.15K	-3853.199520
HF Energy	-3853.192430
Nuclear repulsion energy	291.406427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2007	2007	0.00
2	A_g	1511	1511	0.00
3	A_g	714	714	0.00
4	A_g	230	230	0.00
5	A_u	393	393	0.00
6	B_1g	2007	2007	0.00
7	B_1g	446	446	0.00
8	B_1u	1244	1244	292.22
9	B_1u	609	609	151.33
10	B_2g	1310	1310	0.00
11	B_2g	349	349	0.00
12	B_2u	2013	2013	393.00
13	B_2u	797	797	168.41
14	B_2u	148	148	7.97
15	B_3g	762	762	0.00
16	B_3u	2002	2002	125.42
17	B_3u	1376	1376	1144.60
18	B_3u	659	659	586.66

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.326	0.000	0.000
Ga2	-1.326	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.987	1.423	0.000
H6	1.987	-1.423	0.000
H7	-1.987	1.423	0.000
H8	-1.987	-1.423	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6517	1.7751	1.7751	1.5689	1.5689	3.6057	3.6057
Ga2	2.6517		1.7751	1.7751	3.6057	3.6057	1.5689	1.5689
H3	1.7751	1.7751		2.3606	2.7141	2.7141	2.7141	2.7141
H4	1.7751	1.7751	2.3606		2.7141	2.7141	2.7141	2.7141
H5	1.5689	3.6057	2.7141	2.7141		2.8453	3.9746	4.8880
H6	1.5689	3.6057	2.7141	2.7141	2.8453		4.8880	3.9746
H7	3.6057	1.5689	2.7141	2.7141	3.9746	4.8880		2.8453
H8	3.6057	1.5689	2.7141	2.7141	4.8880	3.9746	2.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.676	Ga1	Ga2	H4	41.676
Ga1	Ga2	H7	114.936	Ga1	Ga2	H8	114.936
Ga1	H3	Ga2	96.648	Ga1	H4	Ga2	96.648
Ga2	Ga1	H3	41.676	Ga2	Ga1	H4	41.676
Ga2	Ga1	H5	114.936	Ga2	Ga1	H6	114.936
H3	Ga1	H4	83.352	H3	Ga1	H5	108.355
H3	Ga1	H6	108.355	H3	Ga2	H4	83.352
H3	Ga2	H7	108.355	H3	Ga2	H8	108.355
H4	Ga1	H5	108.355	H4	Ga1	H6	108.355
H4	Ga2	H7	108.355	H4	Ga2	H8	108.355
H5	Ga1	H6	130.128	H7	Ga2	H8	130.128

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/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	0.303
2	Ga	0.303
3	H	-0.120
4	H	-0.120
5	H	-0.092
6	H	-0.092
7	H	-0.092
8	H	-0.092

<r²>	160.441
(<r²>)^1/2	12.667

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)