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	hartrees
Energy at 0K	-3836.300817
Energy at 298.15K	-3836.308144
HF Energy	-3836.300817
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1865	1833	0.00
2	A_g	1461	1436	0.00
3	A_g	789	776	0.00
4	A_g	199	195	0.00
5	A_u	440	433	0.00
6	B_1g	1873	1842	0.00
7	B_1g	480	472	0.00
8	B_1u	1200	1180	277.64
9	B_1u	622	611	120.78
10	B_2g	1317	1294	0.00
11	B_2g	394	387	0.00
12	B_2u	1881	1849	429.52
13	B_2u	786	773	185.82
14	B_2u	252	248	2.26
15	B_3g	666	655	0.00
16	B_3u	1857	1826	137.54
17	B_3u	1367	1344	1013.59
18	B_3u	740	727	565.54

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.323	0.000	0.000
Ga2	-1.323	0.000	0.000
H3	0.000	0.000	1.189
H4	0.000	0.000	-1.189
H5	2.002	1.408	0.000
H6	2.002	-1.408	0.000
H7	-2.002	1.408	0.000
H8	-2.002	-1.408	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6454	1.7785	1.7785	1.5633	1.5633	3.6102	3.6102
Ga2	2.6454		1.7785	1.7785	3.6102	3.6102	1.5633	1.5633
H3	1.7785	1.7785		2.3780	2.7208	2.7208	2.7208	2.7208
H4	1.7785	1.7785	2.3780		2.7208	2.7208	2.7208	2.7208
H5	1.5633	3.6102	2.7208	2.7208		2.8164	4.0030	4.8945
H6	1.5633	3.6102	2.7208	2.7208	2.8164		4.8945	4.0030
H7	3.6102	1.5633	2.7208	2.7208	4.0030	4.8945		2.8164
H8	3.6102	1.5633	2.7208	2.7208	4.8945	4.0030	2.8164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.669	Ga1	Ga2	H4	41.669
Ga1	Ga2	H7	116.121	Ga1	Ga2	H8	116.121
Ga1	H3	Ga2	96.661	Ga1	H4	Ga2	96.661
Ga2	Ga1	H3	41.669	Ga2	Ga1	H4	41.669
Ga2	Ga1	H5	116.121	Ga2	Ga1	H6	116.121
H3	Ga1	H4	83.339	H3	Ga1	H5	109.201
H3	Ga1	H6	109.201	H3	Ga2	H4	83.339
H3	Ga2	H7	109.201	H3	Ga2	H8	109.201
H4	Ga1	H5	109.201	H4	Ga1	H6	109.201
H4	Ga2	H7	109.201	H4	Ga2	H8	109.201
H5	Ga1	H6	127.758	H7	Ga2	H8	127.758

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B97D3/3-21G

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	0.363
2	Ga	0.363
3	H	-0.204
4	H	-0.204
5	H	-0.080
6	H	-0.080
7	H	-0.080
8	H	-0.080

<r²>	159.882
(<r²>)^1/2	12.644

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)