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	hartrees
Energy at 0K	-3848.816823
Energy at 298.15K	-3848.824343
HF Energy	-3848.816823
Nuclear repulsion energy	302.117095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2082	1989	0.00
2	A_g	1635	1562	0.00
3	A_g	727	694	0.00
4	A_g	238	228	0.00
5	A_u	478	457	0.00
6	B_1g	2089	1995	0.00
7	B_1g	501	478	0.00
8	B_1u	1435	1371	175.53
9	B_1u	656	627	125.54
10	B_2g	1472	1406	0.00
11	B_2g	458	437	0.00
12	B_2u	2095	2002	328.27
13	B_2u	783	748	109.29
14	B_2u	240	230	5.14
15	B_3g	795	760	0.00
16	B_3u	2076	1983	138.29
17	B_3u	1471	1405	935.47
18	B_3u	668	638	439.06

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.268	0.000	0.000
Ga2	-1.268	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.922	1.412	0.000
H6	1.922	-1.412	0.000
H7	-1.922	1.412	0.000
H8	-1.922	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5356	1.7315	1.7315	1.5563	1.5563	3.4881	3.4881
Ga2	2.5356		1.7315	1.7315	3.4881	3.4881	1.5563	1.5563
H3	1.7315	1.7315		2.3585	2.6604	2.6604	2.6604	2.6604
H4	1.7315	1.7315	2.3585		2.6604	2.6604	2.6604	2.6604
H5	1.5563	3.4881	2.6604	2.6604		2.8245	3.8432	4.7695
H6	1.5563	3.4881	2.6604	2.6604	2.8245		4.7695	3.8432
H7	3.4881	1.5563	2.6604	2.6604	3.8432	4.7695		2.8245
H8	3.4881	1.5563	2.6604	2.6604	4.7695	3.8432	2.8245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.927	Ga1	Ga2	H4	42.927
Ga1	Ga2	H7	114.841	Ga1	Ga2	H8	114.841
Ga1	H3	Ga2	94.145	Ga1	H4	Ga2	94.145
Ga2	Ga1	H3	42.927	Ga2	Ga1	H4	42.927
Ga2	Ga1	H5	114.841	Ga2	Ga1	H6	114.841
H3	Ga1	H4	85.855	H3	Ga1	H5	107.915
H3	Ga1	H6	107.915	H3	Ga2	H4	85.855
H3	Ga2	H7	107.915	H3	Ga2	H8	107.915
H4	Ga1	H5	107.915	H4	Ga1	H6	107.915
H4	Ga2	H7	107.915	H4	Ga2	H8	107.915
H5	Ga1	H6	130.318	H7	Ga2	H8	130.318

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBE1PBE/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	0.050
2	Ga	0.050
3	H	-0.014
4	H	-0.014
5	H	-0.018
6	H	-0.018
7	H	-0.018
8	H	-0.018

<r²>	149.598
(<r²>)^1/2	12.231

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)