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	hartrees
Energy at 0K	-3850.548070
Energy at 298.15K	-3850.555742
HF Energy	-3850.025933
Nuclear repulsion energy	304.104161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2135	2025	0.00
2	A_g	1686	1598	0.00
3	A_g	783	742	0.00
4	A_g	251	238	0.00
5	A_u	492	466	0.00
6	B_1g	2142	2031	0.00
7	B_1g	507	480	0.00
8	B_1u	1448	1373	224.29
9	B_1u	654	620	160.63
10	B_2g	1517	1438	0.00
11	B_2g	459	435	0.00
12	B_2u	2148	2036	360.13
13	B_2u	865	820	144.38
14	B_2u	243	230	10.77
15	B_3g	831	788	0.00
16	B_3u	2127	2016	149.46
17	B_3u	1536	1456	1048.01
18	B_3u	733	695	486.83

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.260	0.000	0.000
Ga2	-1.260	0.000	0.000
H3	0.000	0.000	1.156
H4	0.000	0.000	-1.156
H5	1.934	1.393	0.000
H6	1.934	-1.393	0.000
H7	-1.934	1.393	0.000
H8	-1.934	-1.393	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5202	1.7097	1.7097	1.5473	1.5473	3.4844	3.4844
Ga2	2.5202		1.7097	1.7097	3.4844	3.4844	1.5473	1.5473
H3	1.7097	1.7097		2.3110	2.6486	2.6486	2.6486	2.6486
H4	1.7097	1.7097	2.3110		2.6486	2.6486	2.6486	2.6486
H5	1.5473	3.4844	2.6486	2.6486		2.7859	3.8675	4.7665
H6	1.5473	3.4844	2.6486	2.6486	2.7859		4.7665	3.8675
H7	3.4844	1.5473	2.6486	2.6486	3.8675	4.7665		2.7859
H8	3.4844	1.5473	2.6486	2.6486	4.7665	3.8675	2.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.520	Ga1	Ga2	H4	42.520
Ga1	Ga2	H7	115.808	Ga1	Ga2	H8	115.808
Ga1	H3	Ga2	94.959	Ga1	H4	Ga2	94.959
Ga2	Ga1	H3	42.520	Ga2	Ga1	H4	42.520
Ga2	Ga1	H5	115.808	Ga2	Ga1	H6	115.808
H3	Ga1	H4	85.041	H3	Ga1	H5	108.716
H3	Ga1	H6	108.716	H3	Ga2	H4	85.041
H3	Ga2	H7	108.716	H3	Ga2	H8	108.716
H4	Ga1	H5	108.716	H4	Ga1	H6	108.716
H4	Ga2	H7	108.716	H4	Ga2	H8	108.716
H5	Ga1	H6	128.384	H7	Ga2	H8	128.384

All results from a given calculation for Ga₂H₆ (digallane)

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

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)