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	hartrees
Energy at 0K	-3853.469098
Energy at 298.15K	-3853.476300
HF Energy	-3853.469098
Nuclear repulsion energy	292.313910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1966	1961	0.00
2	A_g	1447	1443	0.00
3	A_g	710	708	0.00
4	A_g	218	217	0.00
5	A_u	432	431	0.00
6	B_1g	1983	1977	0.00
7	B_1g	466	465	0.00
8	B_1u	1190	1187	199.74
9	B_1u	620	618	100.58
10	B_2g	1244	1240	0.00
11	B_2g	365	364	0.00
12	B_2u	1991	1985	345.25
13	B_2u	746	744	112.09
14	B_2u	213	212	4.79
15	B_3g	732	730	0.00
16	B_3u	1964	1958	120.15
17	B_3u	1271	1267	908.55
18	B_3u	649	647	503.60

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.322	0.000	0.000
Ga2	-1.322	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.974	1.418	0.000
H6	1.974	-1.418	0.000
H7	-1.974	1.418	0.000
H8	-1.974	-1.418	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6447	1.7709	1.7709	1.5610	1.5610	3.5886	3.5886
Ga2	2.6447		1.7709	1.7709	3.5886	3.5886	1.5610	1.5610
H3	1.7709	1.7709		2.3559	2.7011	2.7011	2.7011	2.7011
H4	1.7709	1.7709	2.3559		2.7011	2.7011	2.7011	2.7011
H5	1.5610	3.5886	2.7011	2.7011		2.8369	3.9480	4.8615
H6	1.5610	3.5886	2.7011	2.7011	2.8369		4.8615	3.9480
H7	3.5886	1.5610	2.7011	2.7011	3.9480	4.8615		2.8369
H8	3.5886	1.5610	2.7011	2.7011	4.8615	3.9480	2.8369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.695	Ga1	Ga2	H4	41.695
Ga1	Ga2	H7	114.675	Ga1	Ga2	H8	114.675
Ga1	H3	Ga2	96.610	Ga1	H4	Ga2	96.610
Ga2	Ga1	H3	41.695	Ga2	Ga1	H4	41.695
Ga2	Ga1	H5	114.675	Ga2	Ga1	H6	114.675
H3	Ga1	H4	83.390	H3	Ga1	H5	108.163
H3	Ga1	H6	108.163	H3	Ga2	H4	83.390
H3	Ga2	H7	108.163	H3	Ga2	H8	108.163
H4	Ga1	H5	108.163	H4	Ga1	H6	108.163
H4	Ga2	H7	108.163	H4	Ga2	H8	108.163
H5	Ga1	H6	130.650	H7	Ga2	H8	130.650

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/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	0.006
2	Ga	0.006
3	H	-0.031
4	H	-0.031
5	H	0.013
6	H	0.013
7	H	0.013
8	H	0.013

<r²>	159.208
(<r²>)^1/2	12.618

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)