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	hartrees
Energy at 0K	-3846.806939
Energy at 298.15K	-3846.814449
HF Energy	-3846.410110
Nuclear repulsion energy	308.737044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2129	2005	0.00
2	A_g	1689	1590	0.00
3	A_g	714	672	0.00
4	A_g	251	236	0.00
5	A_u	483	455	0.00
6	B_1g	2124	2000	0.00
7	B_1g	483	455	0.00
8	B_1u	1467	1381	199.10
9	B_1u	666	627	160.28
10	B_2g	1512	1423	0.00
11	B_2g	477	449	0.00
12	B_2u	2128	2004	341.79
13	B_2u	804	757	141.66
14	B_2u	203	191	8.24
15	B_3g	803	756	0.00
16	B_3u	2122	1998	124.86
17	B_3u	1531	1441	987.34
18	B_3u	667	628	447.68

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.233	0.000	0.000
Ga2	-1.233	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.902	1.401	0.000
H6	1.902	-1.401	0.000
H7	-1.902	1.401	0.000
H8	-1.902	-1.401	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4661	1.7065	1.7065	1.5528	1.5528	3.4340	3.4340
Ga2	2.4661		1.7065	1.7065	3.4340	3.4340	1.5528	1.5528
H3	1.7065	1.7065		2.3594	2.6406	2.6406	2.6406	2.6406
H4	1.7065	1.7065	2.3594		2.6406	2.6406	2.6406	2.6406
H5	1.5528	3.4340	2.6406	2.6406		2.8028	3.8039	4.7250
H6	1.5528	3.4340	2.6406	2.6406	2.8028		4.7250	3.8039
H7	3.4340	1.5528	2.6406	2.6406	3.8039	4.7250		2.8028
H8	3.4340	1.5528	2.6406	2.6406	4.7250	3.8039	2.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.733	Ga1	Ga2	H4	43.733
Ga1	Ga2	H7	115.516	Ga1	Ga2	H8	115.516
Ga1	H3	Ga2	92.534	Ga1	H4	Ga2	92.534
Ga2	Ga1	H3	43.733	Ga2	Ga1	H4	43.733
Ga2	Ga1	H5	115.516	Ga2	Ga1	H6	115.516
H3	Ga1	H4	87.466	H3	Ga1	H5	108.135
H3	Ga1	H6	108.135	H3	Ga2	H4	87.466
H3	Ga2	H7	108.135	H3	Ga2	H8	108.135
H4	Ga1	H5	108.135	H4	Ga1	H6	108.135
H4	Ga2	H7	108.135	H4	Ga2	H8	108.135
H5	Ga1	H6	128.967	H7	Ga2	H8	128.967

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)