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	hartrees
Energy at 0K	-3808.162130
Energy at 298.15K
HF Energy	-3808.162130
Nuclear repulsion energy	365.166618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2218	1963	0.00
2	A_g	1510	1336	0.00
3	A_g	905	801	0.00
4	A_g	443	392	0.00
5	A_u	667	590	0.00
6	B_1g	1994	1765	0.00
7	B_1g	529	468	0.00
8	B_1u	1321	1169	14.36
9	B_1u	793	702	39.86
10	B_2g	930	823	0.00
11	B_2g	394i	348i	0.00
12	B_2u	1961	1735	68.11
13	B_2u	548	485	0.21
14	B_2u	151i	134i	10.80
15	B_3g	719	636	0.00
16	B_3u	2157	1909	157.10
17	B_3u	931	824	0.71
18	B_3u	825i	730i	110.43

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.016	0.000	0.000
Ga2	-1.016	0.000	0.000
H3	0.000	0.000	1.253
H4	0.000	0.000	-1.253
H5	1.704	1.147	0.000
H6	1.704	-1.147	0.000
H7	-1.704	1.147	0.000
H8	-1.704	-1.147	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0327	1.6131	1.6131	1.3370	1.3370	2.9520	2.9520
Ga2	2.0327		1.6131	1.6131	2.9520	2.9520	1.3370	1.3370
H3	1.6131	1.6131		2.5052	2.4056	2.4056	2.4056	2.4056
H4	1.6131	1.6131	2.5052		2.4056	2.4056	2.4056	2.4056
H5	1.3370	2.9520	2.4056	2.4056		2.2933	3.4077	4.1075
H6	1.3370	2.9520	2.4056	2.4056	2.2933		4.1075	3.4077
H7	2.9520	1.3370	2.4056	2.4056	3.4077	4.1075		2.2933
H8	2.9520	1.3370	2.4056	2.4056	4.1075	3.4077	2.2933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.945	Ga1	Ga2	H4	50.945
Ga1	Ga2	H7	120.945	Ga1	Ga2	H8	120.945
Ga1	H3	Ga2	78.111	Ga1	H4	Ga2	78.111
Ga2	Ga1	H3	50.945	Ga2	Ga1	H4	50.945
Ga2	Ga1	H5	120.945	Ga2	Ga1	H6	120.945
H3	Ga1	H4	101.889	H3	Ga1	H5	108.905
H3	Ga1	H6	108.905	H3	Ga2	H4	101.889
H3	Ga2	H7	108.905	H3	Ga2	H8	108.905
H4	Ga1	H5	108.905	H4	Ga1	H6	108.905
H4	Ga2	H7	108.905	H4	Ga2	H8	108.905
H5	Ga1	H6	118.110	H7	Ga2	H8	118.110

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3PW91/STO-3G

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	0.101
2	Ga	0.101
3	H	-0.007
4	H	-0.007
5	H	-0.047
6	H	-0.047
7	H	-0.047
8	H	-0.047

<r²>	108.578
(<r²>)^1/2	10.420

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)