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	hartrees
Energy at 0K	-3853.253288
Energy at 298.15K	-3853.260638
HF Energy	-3853.253288
Nuclear repulsion energy	295.715379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2011	1940	0.00
2	A_g	1513	1460	0.00
3	A_g	728	702	0.00
4	A_g	231	223	0.00
5	A_u	457	441	0.00
6	B_1g	2020	1950	0.00
7	B_1g	479	463	0.00
8	B_1u	1264	1220	221.99
9	B_1u	645	623	112.82
10	B_2g	1315	1269	0.00
11	B_2g	404	390	0.00
12	B_2u	2027	1956	340.91
13	B_2u	762	735	115.36
14	B_2u	215	207	5.01
15	B_3g	754	728	0.00
16	B_3u	2006	1936	124.75
17	B_3u	1333	1286	964.40
18	B_3u	668	645	495.70

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.303	0.000	0.000
Ga2	-1.303	0.000	0.000
H3	0.000	0.000	1.185
H4	0.000	0.000	-1.185
H5	1.955	1.414	0.000
H6	1.955	-1.414	0.000
H7	-1.955	1.414	0.000
H8	-1.955	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6058	1.7610	1.7610	1.5567	1.5567	3.5510	3.5510
Ga2	2.6058		1.7610	1.7610	3.5510	3.5510	1.5567	1.5567
H3	1.7610	1.7610		2.3694	2.6875	2.6875	2.6875	2.6875
H4	1.7610	1.7610	2.3694		2.6875	2.6875	2.6875	2.6875
H5	1.5567	3.5510	2.6875	2.6875		2.8276	3.9090	4.8245
H6	1.5567	3.5510	2.6875	2.6875	2.8276		4.8245	3.9090
H7	3.5510	1.5567	2.6875	2.6875	3.9090	4.8245		2.8276
H8	3.5510	1.5567	2.6875	2.6875	4.8245	3.9090	2.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.280	Ga1	Ga2	H4	42.280
Ga1	Ga2	H7	114.746	Ga1	Ga2	H8	114.746
Ga1	H3	Ga2	95.440	Ga1	H4	Ga2	95.440
Ga2	Ga1	H3	42.280	Ga2	Ga1	H4	42.280
Ga2	Ga1	H5	114.746	Ga2	Ga1	H6	114.746
H3	Ga1	H4	84.560	H3	Ga1	H5	108.041
H3	Ga1	H6	108.041	H3	Ga2	H4	84.560
H3	Ga2	H7	108.041	H3	Ga2	H8	108.041
H4	Ga1	H5	108.041	H4	Ga1	H6	108.041
H4	Ga2	H7	108.041	H4	Ga2	H8	108.041
H5	Ga1	H6	130.508	H7	Ga2	H8	130.508

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3PW91/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: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)