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	hartrees
Energy at 0K	-3831.636542
Energy at 298.15K	-3831.643892
HF Energy	-3831.445684
Nuclear repulsion energy	293.576159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1958	1830	0.00
2	A_g	1513	1414	0.00
3	A_g	732	684	0.00
4	A_g	237	222	0.00
5	A_u	461	430	0.00
6	B_1g	1961	1832	0.00
7	B_1g	481	450	0.00
8	B_1u	1299	1214	210.97
9	B_1u	644	602	125.70
10	B_2g	1323	1236	0.00
11	B_2g	405	379	0.00
12	B_2u	1966	1837	312.19
13	B_2u	778	727	139.87
14	B_2u	204	191	5.01
15	B_3g	767	717	0.00
16	B_3u	1951	1823	118.24
17	B_3u	1361	1271	1135.43
18	B_3u	683	638	473.01

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.307	0.000	0.000
Ga2	-1.307	0.000	0.000
H3	0.000	0.000	1.220
H4	0.000	0.000	-1.220
H5	1.986	1.432	0.000
H6	1.986	-1.432	0.000
H7	-1.986	1.432	0.000
H8	-1.986	-1.432	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6134	1.7879	1.7879	1.5851	1.5851	3.5906	3.5906
Ga2	2.6134		1.7879	1.7879	3.5906	3.5906	1.5851	1.5851
H3	1.7879	1.7879		2.4407	2.7357	2.7357	2.7357	2.7357
H4	1.7879	1.7879	2.4407		2.7357	2.7357	2.7357	2.7357
H5	1.5851	3.5906	2.7357	2.7357		2.8645	3.9717	4.8969
H6	1.5851	3.5906	2.7357	2.7357	2.8645		4.8969	3.9717
H7	3.5906	1.5851	2.7357	2.7357	3.9717	4.8969		2.8645
H8	3.5906	1.5851	2.7357	2.7357	4.8969	3.9717	2.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.043	Ga1	Ga2	H4	43.043
Ga1	Ga2	H7	115.368	Ga1	Ga2	H8	115.368
Ga1	H3	Ga2	93.914	Ga1	H4	Ga2	93.914
Ga2	Ga1	H3	43.043	Ga2	Ga1	H4	43.043
Ga2	Ga1	H5	115.368	Ga2	Ga1	H6	115.368
H3	Ga1	H4	86.086	H3	Ga1	H5	108.247
H3	Ga1	H6	108.247	H3	Ga2	H4	86.086
H3	Ga2	H7	108.247	H3	Ga2	H8	108.247
H4	Ga1	H5	108.247	H4	Ga1	H6	108.247
H4	Ga2	H7	108.247	H4	Ga2	H8	108.247
H5	Ga1	H6	129.263	H7	Ga2	H8	129.263

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CISD/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)