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	hartrees
Energy at 0K	-3846.121136
Energy at 298.15K	-3846.128629
HF Energy	-3845.927324
Nuclear repulsion energy	296.463677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2058	1946	0.00
2	A_g	1595	1508	0.00
3	A_g	736	696	0.00
4	A_g	238	225	0.00
5	A_u	462	437	0.00
6	B_1g	2058	1945	0.00
7	B_1g	487	460	0.00
8	B_1u	1374	1299	235.29
9	B_1u	658	623	162.79
10	B_2g	1434	1356	0.00
11	B_2g	451	427	0.00
12	B_2u	2063	1951	337.93
13	B_2u	807	763	158.69
14	B_2u	233	220	6.78
15	B_3g	793	750	0.00
16	B_3u	2052	1940	132.02
17	B_3u	1481	1400	1167.57
18	B_3u	681	644	512.35

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.297	0.000	0.000
Ga2	-1.297	0.000	0.000
H3	0.000	0.000	1.174
H4	0.000	0.000	-1.174
H5	1.958	1.424	0.000
H6	1.958	-1.424	0.000
H7	-1.958	1.424	0.000
H8	-1.958	-1.424	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5940	1.7495	1.7495	1.5703	1.5703	3.5531	3.5531
Ga2	2.5940		1.7495	1.7495	3.5531	3.5531	1.5703	1.5703
H3	1.7495	1.7495		2.3482	2.6910	2.6910	2.6910	2.6910
H4	1.7495	1.7495	2.3482		2.6910	2.6910	2.6910	2.6910
H5	1.5703	3.5531	2.6910	2.6910		2.8488	3.9161	4.8427
H6	1.5703	3.5531	2.6910	2.6910	2.8488		4.8427	3.9161
H7	3.5531	1.5703	2.6910	2.6910	3.9161	4.8427		2.8488
H8	3.5531	1.5703	2.6910	2.6910	4.8427	3.9161	2.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.152	Ga1	Ga2	H4	42.152
Ga1	Ga2	H7	114.895	Ga1	Ga2	H8	114.895
Ga1	H3	Ga2	95.696	Ga1	H4	Ga2	95.696
Ga2	Ga1	H3	42.152	Ga2	Ga1	H4	42.152
Ga2	Ga1	H5	114.895	Ga2	Ga1	H6	114.895
H3	Ga1	H4	84.304	H3	Ga1	H5	108.185
H3	Ga1	H6	108.185	H3	Ga2	H4	84.304
H3	Ga2	H7	108.185	H3	Ga2	H8	108.185
H4	Ga1	H5	108.185	H4	Ga1	H6	108.185
H4	Ga2	H7	108.185	H4	Ga2	H8	108.185
H5	Ga1	H6	130.210	H7	Ga2	H8	130.210

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)