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	hartrees
Energy at 0K	-3850.156609
Energy at 298.15K	-3850.164038
HF Energy	-3849.881810
Nuclear repulsion energy	295.590053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2005	2005	0.00
2	A_g	1541	1541	0.00
3	A_g	750	750	0.00
4	A_g	241	241	0.00
5	A_u	459	459	0.00
6	B_1g	2006	2006	0.00
7	B_1g	480	480	0.00
8	B_1u	1269	1269	281.74
9	B_1u	653	653	158.71
10	B_2g	1339	1339	0.00
11	B_2g	403	403	0.00
12	B_2u	2012	2012	335.81
13	B_2u	806	806	165.00
14	B_2u	220	220	7.49
15	B_3g	778	778	0.00
16	B_3u	1999	1999	117.36
17	B_3u	1388	1388	1135.66
18	B_3u	696	696	566.85

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.304	0.000	0.000
Ga2	-1.304	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.967	1.409	0.000
H6	1.967	-1.409	0.000
H7	-1.967	1.409	0.000
H8	-1.967	-1.409	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6077	1.7564	1.7564	1.5574	1.5574	3.5612	3.5612
Ga2	2.6077		1.7564	1.7564	3.5612	3.5612	1.5574	1.5574
H3	1.7564	1.7564		2.3536	2.6905	2.6905	2.6905	2.6905
H4	1.7564	1.7564	2.3536		2.6905	2.6905	2.6905	2.6905
H5	1.5574	3.5612	2.6905	2.6905		2.8189	3.9331	4.8389
H6	1.5574	3.5612	2.6905	2.6905	2.8189		4.8389	3.9331
H7	3.5612	1.5574	2.6905	2.6905	3.9331	4.8389		2.8189
H8	3.5612	1.5574	2.6905	2.6905	4.8389	3.9331	2.8189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.067	Ga1	Ga2	H4	42.067
Ga1	Ga2	H7	115.181	Ga1	Ga2	H8	115.181
Ga1	H3	Ga2	95.866	Ga1	H4	Ga2	95.866
Ga2	Ga1	H3	42.067	Ga2	Ga1	H4	42.067
Ga2	Ga1	H5	115.181	Ga2	Ga1	H6	115.181
H3	Ga1	H4	84.134	H3	Ga1	H5	108.413
H3	Ga1	H6	108.413	H3	Ga2	H4	84.134
H3	Ga2	H7	108.413	H3	Ga2	H8	108.413
H4	Ga1	H5	108.413	H4	Ga1	H6	108.413
H4	Ga2	H7	108.413	H4	Ga2	H8	108.413
H5	Ga1	H6	129.638	H7	Ga2	H8	129.638

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD=FULL/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)