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	hartrees
Energy at 0K	-3852.604533
Energy at 298.15K	-3852.611988
HF Energy	-3852.288637
Nuclear repulsion energy	296.661123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2055	2055	0.00
2	A_g	1553	1553	0.00
3	A_g	751	751	0.00
4	A_g	236	236	0.00
5	A_u	466	466	0.00
6	B_1g	2062	2062	0.00
7	B_1g	487	487	0.00
8	B_1u	1271	1271	245.00
9	B_1u	661	661	136.67
10	B_2g	1329	1329	0.00
11	B_2g	408	408	0.00
12	B_2u	2069	2069	357.40
13	B_2u	797	797	142.56
14	B_2u	231	231	6.52
15	B_3g	780	780	0.00
16	B_3u	2050	2050	127.16
17	B_3u	1363	1363	1057.86
18	B_3u	690	690	566.25

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.301	0.000	0.000
Ga2	-1.301	0.000	0.000
H3	0.000	0.000	1.168
H4	0.000	0.000	-1.168
H5	1.950	1.402	0.000
H6	1.950	-1.402	0.000
H7	-1.950	1.402	0.000
H8	-1.950	-1.402	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6018	1.7484	1.7484	1.5453	1.5453	3.5406	3.5406
Ga2	2.6018		1.7484	1.7484	3.5406	3.5406	1.5453	1.5453
H3	1.7484	1.7484		2.3364	2.6710	2.6710	2.6710	2.6710
H4	1.7484	1.7484	2.3364		2.6710	2.6710	2.6710	2.6710
H5	1.5453	3.5406	2.6710	2.6710		2.8047	3.9003	4.8040
H6	1.5453	3.5406	2.6710	2.6710	2.8047		4.8040	3.9003
H7	3.5406	1.5453	2.6710	2.6710	3.9003	4.8040		2.8047
H8	3.5406	1.5453	2.6710	2.6710	4.8040	3.9003	2.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.923	Ga1	Ga2	H4	41.923
Ga1	Ga2	H7	114.842	Ga1	Ga2	H8	114.842
Ga1	H3	Ga2	96.154	Ga1	H4	Ga2	96.154
Ga2	Ga1	H3	41.923	Ga2	Ga1	H4	41.923
Ga2	Ga1	H5	114.842	Ga2	Ga1	H6	114.842
H3	Ga1	H4	83.846	H3	Ga1	H5	108.215
H3	Ga1	H6	108.215	H3	Ga2	H4	83.846
H3	Ga2	H7	108.215	H3	Ga2	H8	108.215
H4	Ga1	H5	108.215	H4	Ga1	H6	108.215
H4	Ga2	H7	108.215	H4	Ga2	H8	108.215
H5	Ga1	H6	130.316	H7	Ga2	H8	130.316

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/6-311G**

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: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)