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	hartrees
Energy at 0K	-3855.188996
Energy at 298.15K	-3855.196235
HF Energy	-3855.188996
Nuclear repulsion energy	292.872560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1961	1933	0.00
2	A_g	1458	1437	0.00
3	A_g	711	701	0.00
4	A_g	221	218	0.00
5	A_u	440	434	0.00
6	B_1g	1976	1948	0.00
7	B_1g	473	466	0.00
8	B_1u	1206	1189	235.23
9	B_1u	626	617	108.94
10	B_2g	1255	1237	0.00
11	B_2g	378	373	0.00
12	B_2u	1984	1956	385.43
13	B_2u	757	746	125.80
14	B_2u	209	206	4.41
15	B_3g	741	730	0.00
16	B_3u	1957	1929	134.54
17	B_3u	1284	1265	948.01
18	B_3u	653	643	521.87

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.319	0.000	0.000
Ga2	-1.319	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.965	1.420	0.000
H6	1.965	-1.420	0.000
H7	-1.965	1.420	0.000
H8	-1.965	-1.420	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6385	1.7702	1.7702	1.5598	1.5598	3.5779	3.5779
Ga2	2.6385		1.7702	1.7702	3.5779	3.5779	1.5598	1.5598
H3	1.7702	1.7702		2.3606	2.6963	2.6963	2.6963	2.6963
H4	1.7702	1.7702	2.3606		2.6963	2.6963	2.6963	2.6963
H5	1.5598	3.5779	2.6963	2.6963		2.8399	3.9297	4.8484
H6	1.5598	3.5779	2.6963	2.6963	2.8399		4.8484	3.9297
H7	3.5779	1.5598	2.6963	2.6963	3.9297	4.8484		2.8399
H8	3.5779	1.5598	2.6963	2.6963	4.8484	3.9297	2.8399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.819	Ga1	Ga2	H4	41.819
Ga1	Ga2	H7	114.451	Ga1	Ga2	H8	114.451
Ga1	H3	Ga2	96.361	Ga1	H4	Ga2	96.361
Ga2	Ga1	H3	41.819	Ga2	Ga1	H4	41.819
Ga2	Ga1	H5	114.451	Ga2	Ga1	H6	114.451
H3	Ga1	H4	83.639	H3	Ga1	H5	107.967
H3	Ga1	H6	107.967	H3	Ga2	H4	83.639
H3	Ga2	H7	107.967	H3	Ga2	H8	107.967
H4	Ga1	H5	107.967	H4	Ga1	H6	107.967
H4	Ga2	H7	107.967	H4	Ga2	H8	107.967
H5	Ga1	H6	131.099	H7	Ga2	H8	131.099

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B97D3/TZVP

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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Number	Element	Mulliken
1	Ga	0.353
2	Ga	0.353
3	H	-0.135
4	H	-0.135
5	H	-0.109
6	H	-0.109
7	H	-0.109
8	H	-0.109

<r²>	158.354
(<r²>)^1/2	12.584

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)