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	hartrees
Energy at 0K	-3844.720462
Energy at 298.15K	-3844.727938
HF Energy	-3844.720462
Nuclear repulsion energy	307.298438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2057	2027	0.00
2	A_g	1648	1623	0.00
3	A_g	705	694	0.00
4	A_g	240	236	0.00
5	A_u	487	480	0.00
6	B_1g	2074	2043	0.00
7	B_1g	504	496	0.00
8	B_1u	1480	1458	101.48
9	B_1u	641	632	79.62
10	B_2g	1500	1478	0.00
11	B_2g	468	461	0.00
12	B_2u	2081	2050	242.87
13	B_2u	731	720	68.84
14	B_2u	234	231	3.88
15	B_3g	769	757	0.00
16	B_3u	2055	2024	114.31
17	B_3u	1462	1440	706.61
18	B_3u	647	637	320.90

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.241	0.000	0.000
Ga2	-1.241	0.000	0.000
H3	0.000	0.000	1.183
H4	0.000	0.000	-1.183
H5	1.888	1.410	0.000
H6	1.888	-1.410	0.000
H7	-1.888	1.410	0.000
H8	-1.888	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4819	1.7144	1.7144	1.5514	1.5514	3.4320	3.4320
Ga2	2.4819		1.7144	1.7144	3.4320	3.4320	1.5514	1.5514
H3	1.7144	1.7144		2.3658	2.6367	2.6367	2.6367	2.6367
H4	1.7144	1.7144	2.3658		2.6367	2.6367	2.6367	2.6367
H5	1.5514	3.4320	2.6367	2.6367		2.8199	3.7761	4.7129
H6	1.5514	3.4320	2.6367	2.6367	2.8199		4.7129	3.7761
H7	3.4320	1.5514	2.6367	2.6367	3.7761	4.7129		2.8199
H8	3.4320	1.5514	2.6367	2.6367	4.7129	3.7761	2.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.628	Ga1	Ga2	H4	43.628
Ga1	Ga2	H7	114.653	Ga1	Ga2	H8	114.653
Ga1	H3	Ga2	92.745	Ga1	H4	Ga2	92.745
Ga2	Ga1	H3	43.628	Ga2	Ga1	H4	43.628
Ga2	Ga1	H5	114.653	Ga2	Ga1	H6	114.653
H3	Ga1	H4	87.255	H3	Ga1	H5	107.573
H3	Ga1	H6	107.573	H3	Ga2	H4	87.255
H3	Ga2	H7	107.573	H3	Ga2	H8	107.573
H4	Ga1	H5	107.573	H4	Ga1	H6	107.573
H4	Ga2	H7	107.573	H4	Ga2	H8	107.573
H5	Ga1	H6	130.695	H7	Ga2	H8	130.695

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/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	-0.106
2	Ga	-0.106
3	H	0.062
4	H	0.062
5	H	0.022
6	H	0.022
7	H	0.022
8	H	0.022

<r²>	144.681
(<r²>)^1/2	12.028

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)