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	hartrees
Energy at 0K	-3848.788068
Energy at 298.15K	-3848.795437
HF Energy	-3848.788068
Nuclear repulsion energy	301.175529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2063	1960	0.00
2	A_g	1505	1430	0.00
3	A_g	722	686	0.00
4	A_g	230	219	0.00
5	A_u	477	454	0.00
6	B_1g	2073	1970	0.00
7	B_1g	498	474	0.00
8	B_1u	1287	1223	181.41
9	B_1u	656	623	124.78
10	B_2g	1300	1236	0.00
11	B_2g	421	400	0.00
12	B_2u	2079	1975	315.06
13	B_2u	764	726	110.31
14	B_2u	216	205	4.04
15	B_3g	782	743	0.00
16	B_3u	2057	1954	135.36
17	B_3u	1289	1225	895.12
18	B_3u	659	626	494.08

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.273	0.000	0.000
Ga2	-1.273	0.000	0.000
H3	0.000	0.000	1.196
H4	0.000	0.000	-1.196
H5	1.920	1.407	0.000
H6	1.920	-1.407	0.000
H7	-1.920	1.407	0.000
H8	-1.920	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5459	1.7464	1.7464	1.5489	1.5489	3.4892	3.4892
Ga2	2.5459		1.7464	1.7464	3.4892	3.4892	1.5489	1.5489
H3	1.7464	1.7464		2.3911	2.6638	2.6638	2.6638	2.6638
H4	1.7464	1.7464	2.3911		2.6638	2.6638	2.6638	2.6638
H5	1.5489	3.4892	2.6638	2.6638		2.8147	3.8396	4.7608
H6	1.5489	3.4892	2.6638	2.6638	2.8147		4.7608	3.8396
H7	3.4892	1.5489	2.6638	2.6638	3.8396	4.7608		2.8147
H8	3.4892	1.5489	2.6638	2.6638	4.7608	3.8396	2.8147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.203	Ga1	Ga2	H4	43.203
Ga1	Ga2	H7	114.685	Ga1	Ga2	H8	114.685
Ga1	H3	Ga2	93.593	Ga1	H4	Ga2	93.593
Ga2	Ga1	H3	43.203	Ga2	Ga1	H4	43.203
Ga2	Ga1	H5	114.685	Ga2	Ga1	H6	114.685
H3	Ga1	H4	86.407	H3	Ga1	H5	107.723
H3	Ga1	H6	107.723	H3	Ga2	H4	86.407
H3	Ga2	H7	107.723	H3	Ga2	H8	107.723
H4	Ga1	H5	107.723	H4	Ga1	H6	107.723
H4	Ga2	H7	107.723	H4	Ga2	H8	107.723
H5	Ga1	H6	130.630	H7	Ga2	H8	130.630

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBE1PBE/6-31G*

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	-0.038
2	Ga	-0.038
3	H	0.012
4	H	0.012
5	H	0.013
6	H	0.013
7	H	0.013
8	H	0.013

<r²>	150.404
(<r²>)^1/2	12.264

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)