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	hartrees
Energy at 0K	-3846.143231
Energy at 298.15K	-3846.150859
HF Energy	-3845.926965
Nuclear repulsion energy	300.459671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2082	1955	0.00
2	A_g	1631	1532	0.00
3	A_g	759	713	0.00
4	A_g	245	230	0.00
5	A_u	487	458	0.00
6	B_1g	2082	1956	0.00
7	B_1g	510	479	0.00
8	B_1u	1405	1319	237.46
9	B_1u	686	644	167.45
10	B_2g	1473	1383	0.00
11	B_2g	469	441	0.00
12	B_2u	2088	1961	349.39
13	B_2u	834	783	159.10
14	B_2u	244	229	6.68
15	B_3g	830	780	0.00
16	B_3u	2075	1949	139.14
17	B_3u	1498	1407	1136.99
18	B_3u	699	657	534.61

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.279	0.000	0.000
Ga2	-1.279	0.000	0.000
H3	0.000	0.000	1.167
H4	0.000	0.000	-1.167
H5	1.934	1.407	0.000
H6	1.934	-1.407	0.000
H7	-1.934	1.407	0.000
H8	-1.934	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5570	1.7312	1.7312	1.5519	1.5519	3.5072	3.5072
Ga2	2.5570		1.7312	1.7312	3.5072	3.5072	1.5519	1.5519
H3	1.7312	1.7312		2.3346	2.6613	2.6613	2.6613	2.6613
H4	1.7312	1.7312	2.3346		2.6613	2.6613	2.6613	2.6613
H5	1.5519	3.5072	2.6613	2.6613		2.8132	3.8685	4.7832
H6	1.5519	3.5072	2.6613	2.6613	2.8132		4.7832	3.8685
H7	3.5072	1.5519	2.6613	2.6613	3.8685	4.7832		2.8132
H8	3.5072	1.5519	2.6613	2.6613	4.7832	3.8685	2.8132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.396	Ga1	Ga2	H4	42.396
Ga1	Ga2	H7	114.994	Ga1	Ga2	H8	114.994
Ga1	H3	Ga2	95.209	Ga1	H4	Ga2	95.209
Ga2	Ga1	H3	42.396	Ga2	Ga1	H4	42.396
Ga2	Ga1	H5	114.994	Ga2	Ga1	H6	114.994
H3	Ga1	H4	84.791	H3	Ga1	H5	108.182
H3	Ga1	H6	108.182	H3	Ga2	H4	84.791
H3	Ga2	H7	108.182	H3	Ga2	H8	108.182
H4	Ga1	H5	108.182	H4	Ga1	H6	108.182
H4	Ga2	H7	108.182	H4	Ga2	H8	108.182
H5	Ga1	H6	130.013	H7	Ga2	H8	130.013

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)