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	hartrees
Energy at 0K	-3831.262946
Energy at 298.15K	-3831.270272
HF Energy	-3831.130241
Nuclear repulsion energy	288.999468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1822	1766	0.00
2	A_g	1458	1413	0.00
3	A_g	773	750	0.00
4	A_g	215	208	0.00
5	A_u	436	423	0.00
6	B_1g	1826	1769	0.00
7	B_1g	464	450	0.00
8	B_1u	1173	1137	323.33
9	B_1u	613	594	175.70
10	B_2g	1308	1268	0.00
11	B_2g	366	355	0.00
12	B_2u	1831	1775	354.41
13	B_2u	857	831	275.32
14	B_2u	244	236	5.80
15	B_3g	733	711	0.00
16	B_3u	1816	1760	97.97
17	B_3u	1384	1341	1210.39
18	B_3u	727	704	652.71

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	1.189
H4	0.000	0.000	-1.189
H5	2.035	1.425	0.000
H6	2.035	-1.425	0.000
H7	-2.035	1.425	0.000
H8	-2.035	-1.425	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6704	1.7879	1.7879	1.5878	1.5878	3.6590	3.6590
Ga2	2.6704		1.7879	1.7879	3.6590	3.6590	1.5878	1.5878
H3	1.7879	1.7879		2.3780	2.7542	2.7542	2.7542	2.7542
H4	1.7879	1.7879	2.3780		2.7542	2.7542	2.7542	2.7542
H5	1.5878	3.6590	2.7542	2.7542		2.8508	4.0695	4.9687
H6	1.5878	3.6590	2.7542	2.7542	2.8508		4.9687	4.0695
H7	3.6590	1.5878	2.7542	2.7542	4.0695	4.9687		2.8508
H8	3.6590	1.5878	2.7542	2.7542	4.9687	4.0695	2.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.686	Ga1	Ga2	H4	41.686
Ga1	Ga2	H7	116.141	Ga1	Ga2	H8	116.141
Ga1	H3	Ga2	96.629	Ga1	H4	Ga2	96.629
Ga2	Ga1	H3	41.686	Ga2	Ga1	H4	41.686
Ga2	Ga1	H5	116.141	Ga2	Ga1	H6	116.141
H3	Ga1	H4	83.371	H3	Ga1	H5	109.210
H3	Ga1	H6	109.210	H3	Ga2	H4	83.371
H3	Ga2	H7	109.210	H3	Ga2	H8	109.210
H4	Ga1	H5	109.210	H4	Ga1	H6	109.210
H4	Ga2	H7	109.210	H4	Ga2	H8	109.210
H5	Ga1	H6	127.718	H7	Ga2	H8	127.718

All results from a given calculation for Ga₂H₆ (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)