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	hartrees
Energy at 0K	-3852.690653
Energy at 298.15K	-3852.698047
HF Energy	-3852.690653
Nuclear repulsion energy	297.449747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2039	1956	0.00
2	A_g	1540	1477	0.00
3	A_g	734	704	0.00
4	A_g	235	226	0.00
5	A_u	461	442	0.00
6	B_1g	2047	1964	0.00
7	B_1g	480	460	0.00
8	B_1u	1288	1236	212.32
9	B_1u	651	624	126.21
10	B_2g	1342	1287	0.00
11	B_2g	418	401	0.00
12	B_2u	2054	1971	343.77
13	B_2u	765	734	120.70
14	B_2u	216	207	5.73
15	B_3g	760	729	0.00
16	B_3u	2034	1952	126.59
17	B_3u	1358	1302	955.69
18	B_3u	674	647	514.48

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.945	1.408	0.000
H6	1.945	-1.408	0.000
H7	-1.945	1.408	0.000
H8	-1.945	-1.408	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5891	1.7512	1.7512	1.5509	1.5509	3.5325	3.5325
Ga2	2.5891		1.7512	1.7512	3.5325	3.5325	1.5509	1.5509
H3	1.7512	1.7512		2.3587	2.6753	2.6753	2.6753	2.6753
H4	1.7512	1.7512	2.3587		2.6753	2.6753	2.6753	2.6753
H5	1.5509	3.5325	2.6753	2.6753		2.8154	3.8908	4.8026
H6	1.5509	3.5325	2.6753	2.6753	2.8154		4.8026	3.8908
H7	3.5325	1.5509	2.6753	2.6753	3.8908	4.8026		2.8154
H8	3.5325	1.5509	2.6753	2.6753	4.8026	3.8908	2.8154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.334	Ga1	Ga2	H4	42.334
Ga1	Ga2	H7	114.814	Ga1	Ga2	H8	114.814
Ga1	H3	Ga2	95.331	Ga1	H4	Ga2	95.331
Ga2	Ga1	H3	42.334	Ga2	Ga1	H4	42.334
Ga2	Ga1	H5	114.814	Ga2	Ga1	H6	114.814
H3	Ga1	H4	84.669	H3	Ga1	H5	108.073
H3	Ga1	H6	108.073	H3	Ga2	H4	84.669
H3	Ga2	H7	108.073	H3	Ga2	H8	108.073
H4	Ga1	H5	108.073	H4	Ga1	H6	108.073
H4	Ga2	H7	108.073	H4	Ga2	H8	108.073
H5	Ga1	H6	130.372	H7	Ga2	H8	130.372

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBE1PBE/6-311G**

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	0.306
2	Ga	0.306
3	H	-0.101
4	H	-0.101
5	H	-0.103
6	H	-0.103
7	H	-0.103
8	H	-0.103

<r²>	153.943
(<r²>)^1/2	12.407

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)