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	hartrees
Energy at 0K	-3853.526976
Energy at 298.15K	-3853.534386
HF Energy	-3853.526976
Nuclear repulsion energy	297.509787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2043	1955	0.00
2	A_g	1543	1476	0.00
3	A_g	738	706	0.00
4	A_g	235	225	0.00
5	A_u	462	442	0.00
6	B_1g	2052	1963	0.00
7	B_1g	482	461	0.00
8	B_1u	1289	1233	217.49
9	B_1u	654	625	127.07
10	B_2g	1342	1284	0.00
11	B_2g	417	399	0.00
12	B_2u	2058	1969	348.63
13	B_2u	772	739	122.92
14	B_2u	220	210	5.76
15	B_3g	764	731	0.00
16	B_3u	2038	1950	127.45
17	B_3u	1360	1301	965.08
18	B_3u	677	648	521.35

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.945	1.406	0.000
H6	1.945	-1.406	0.000
H7	-1.945	1.406	0.000
H8	-1.945	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5894	1.7499	1.7499	1.5490	1.5490	3.5319	3.5319
Ga2	2.5894		1.7499	1.7499	3.5319	3.5319	1.5490	1.5490
H3	1.7499	1.7499		2.3543	2.6732	2.6732	2.6732	2.6732
H4	1.7499	1.7499	2.3543		2.6732	2.6732	2.6732	2.6732
H5	1.5490	3.5319	2.6732	2.6732		2.8113	3.8908	4.8002
H6	1.5490	3.5319	2.6732	2.6732	2.8113		4.8002	3.8908
H7	3.5319	1.5490	2.6732	2.6732	3.8908	4.8002		2.8113
H8	3.5319	1.5490	2.6732	2.6732	4.8002	3.8908	2.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.278	Ga1	Ga2	H4	42.278
Ga1	Ga2	H7	114.840	Ga1	Ga2	H8	114.840
Ga1	H3	Ga2	95.445	Ga1	H4	Ga2	95.445
Ga2	Ga1	H3	42.278	Ga2	Ga1	H4	42.278
Ga2	Ga1	H5	114.840	Ga2	Ga1	H6	114.840
H3	Ga1	H4	84.555	H3	Ga1	H5	108.109
H3	Ga1	H6	108.109	H3	Ga2	H4	84.555
H3	Ga2	H7	108.109	H3	Ga2	H8	108.109
H4	Ga1	H5	108.109	H4	Ga1	H6	108.109
H4	Ga2	H7	108.109	H4	Ga2	H8	108.109
H5	Ga1	H6	130.319	H7	Ga2	H8	130.319

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: mPW1PW91/6-311G**

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	0.317
2	Ga	0.317
3	H	-0.107
4	H	-0.107
5	H	-0.105
6	H	-0.105
7	H	-0.105
8	H	-0.105

<r²>	153.869
(<r²>)^1/2	12.404

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)