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	hartrees
Energy at 0K	-3848.751481
Energy at 298.15K	-3848.758885
HF Energy	-3848.751481
Nuclear repulsion energy	300.414298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2012	1989	0.00
2	A_g	1578	1560	0.00
3	A_g	703	695	0.00
4	A_g	229	227	0.00
5	A_u	466	460	0.00
6	B_1g	2026	2003	0.00
7	B_1g	493	488	0.00
8	B_1u	1390	1374	145.97
9	B_1u	634	627	98.29
10	B_2g	1419	1403	0.00
11	B_2g	444	439	0.00
12	B_2u	2033	2010	308.65
13	B_2u	743	735	90.41
14	B_2u	236	234	3.75
15	B_3g	762	754	0.00
16	B_3u	2009	1986	133.08
17	B_3u	1407	1391	826.77
18	B_3u	645	637	387.36

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.276	0.000	0.000
Ga2	-1.276	0.000	0.000
H3	0.000	0.000	1.183
H4	0.000	0.000	-1.183
H5	1.929	1.421	0.000
H6	1.929	-1.421	0.000
H7	-1.929	1.421	0.000
H8	-1.929	-1.421	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5511	1.7398	1.7398	1.5638	1.5638	3.5052	3.5052
Ga2	2.5511		1.7398	1.7398	3.5052	3.5052	1.5638	1.5638
H3	1.7398	1.7398		2.3664	2.6719	2.6719	2.6719	2.6719
H4	1.7398	1.7398	2.3664		2.6719	2.6719	2.6719	2.6719
H5	1.5638	3.5052	2.6719	2.6719		2.8417	3.8575	4.7912
H6	1.5638	3.5052	2.6719	2.6719	2.8417		4.7912	3.8575
H7	3.5052	1.5638	2.6719	2.6719	3.8575	4.7912		2.8417
H8	3.5052	1.5638	2.6719	2.6719	4.7912	3.8575	2.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.850	Ga1	Ga2	H4	42.850
Ga1	Ga2	H7	114.690	Ga1	Ga2	H8	114.690
Ga1	H3	Ga2	94.301	Ga1	H4	Ga2	94.301
Ga2	Ga1	H3	42.850	Ga2	Ga1	H4	42.850
Ga2	Ga1	H5	114.690	Ga2	Ga1	H6	114.690
H3	Ga1	H4	85.699	H3	Ga1	H5	107.833
H3	Ga1	H6	107.833	H3	Ga2	H4	85.699
H3	Ga2	H7	107.833	H3	Ga2	H8	107.833
H4	Ga1	H5	107.833	H4	Ga1	H6	107.833
H4	Ga2	H7	107.833	H4	Ga2	H8	107.833
H5	Ga1	H6	130.621	H7	Ga2	H8	130.621

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.008
2	Ga	-0.008
3	H	0.015
4	H	0.015
5	H	-0.004
6	H	-0.004
7	H	-0.004
8	H	-0.004

<r²>	151.035
(<r²>)^1/2	12.290

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)