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	hartrees
Energy at 0K	-3831.252392
Energy at 298.15K	-3831.259774
HF Energy	-3831.130493
Nuclear repulsion energy	289.354290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1859	1732	0.00
2	A_g	1479	1377	0.00
3	A_g	787	734	0.00
4	A_g	217	202	0.00
5	A_u	443	412	0.00
6	B_1g	1858	1731	0.00
7	B_1g	470	438	0.00
8	B_1u	1185	1104	355.28
9	B_1u	629	586	190.75
10	B_2g	1323	1233	0.00
11	B_2g	370	345	0.00
12	B_2u	1864	1736	383.57
13	B_2u	874	815	299.01
14	B_2u	246	229	6.04
15	B_3g	751	699	0.00
16	B_3u	1851	1724	102.31
17	B_3u	1402	1306	1277.96
18	B_3u	738	687	704.54

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.335	0.000	0.000
Ga2	-1.335	0.000	0.000
H3	0.000	0.000	1.185
H4	0.000	0.000	-1.185
H5	2.030	1.421	0.000
H6	2.030	-1.421	0.000
H7	-2.030	1.421	0.000
H8	-2.030	-1.421	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6691	1.7844	1.7844	1.5820	1.5820	3.6526	3.6526
Ga2	2.6691		1.7844	1.7844	3.6526	3.6526	1.5820	1.5820
H3	1.7844	1.7844		2.3690	2.7467	2.7467	2.7467	2.7467
H4	1.7844	1.7844	2.3690		2.7467	2.7467	2.7467	2.7467
H5	1.5820	3.6526	2.7467	2.7467		2.8415	4.0608	4.9562
H6	1.5820	3.6526	2.7467	2.7467	2.8415		4.9562	4.0608
H7	3.6526	1.5820	2.7467	2.7467	4.0608	4.9562		2.8415
H8	3.6526	1.5820	2.7467	2.7467	4.9562	4.0608	2.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.591	Ga1	Ga2	H4	41.591
Ga1	Ga2	H7	116.094	Ga1	Ga2	H8	116.094
Ga1	H3	Ga2	96.818	Ga1	H4	Ga2	96.818
Ga2	Ga1	H3	41.591	Ga2	Ga1	H4	41.591
Ga2	Ga1	H5	116.094	Ga2	Ga1	H6	116.094
H3	Ga1	H4	83.182	H3	Ga1	H5	109.206
H3	Ga1	H6	109.206	H3	Ga2	H4	83.182
H3	Ga2	H7	109.206	H3	Ga2	H8	109.206
H4	Ga1	H5	109.206	H4	Ga1	H6	109.206
H4	Ga2	H7	109.206	H4	Ga2	H8	109.206
H5	Ga1	H6	127.812	H7	Ga2	H8	127.812

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)