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	hartrees
Energy at 0K	-3834.486705
Energy at 298.15K	-3834.494062
HF Energy	-3834.486705
Nuclear repulsion energy	296.590162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1890	1824	0.00
2	A_g	1492	1440	0.00
3	A_g	808	779	0.00
4	A_g	208	201	0.00
5	A_u	437	422	0.00
6	B_1g	1890	1824	0.00
7	B_1g	477	460	0.00
8	B_1u	1212	1169	266.63
9	B_1u	631	609	127.57
10	B_2g	1328	1282	0.00
11	B_2g	380	366	0.00
12	B_2u	1896	1830	373.84
13	B_2u	821	793	200.00
14	B_2u	244	235	4.11
15	B_3g	699	675	0.00
16	B_3u	1882	1816	113.59
17	B_3u	1366	1318	1003.62
18	B_3u	754	727	599.64

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.299	0.000	0.000
Ga2	-1.299	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.978	1.392	0.000
H6	1.978	-1.392	0.000
H7	-1.978	1.392	0.000
H8	-1.978	-1.392	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5980	1.7547	1.7547	1.5490	1.5490	3.5607	3.5607
Ga2	2.5980		1.7547	1.7547	3.5607	3.5607	1.5490	1.5490
H3	1.7547	1.7547		2.3594	2.6914	2.6914	2.6914	2.6914
H4	1.7547	1.7547	2.3594		2.6914	2.6914	2.6914	2.6914
H5	1.5490	3.5607	2.6914	2.6914		2.7843	3.9566	4.8380
H6	1.5490	3.5607	2.6914	2.6914	2.7843		4.8380	3.9566
H7	3.5607	1.5490	2.6914	2.6914	3.9566	4.8380		2.7843
H8	3.5607	1.5490	2.6914	2.6914	4.8380	3.9566	2.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.245	Ga1	Ga2	H4	42.245
Ga1	Ga2	H7	116.010	Ga1	Ga2	H8	116.010
Ga1	H3	Ga2	95.510	Ga1	H4	Ga2	95.510
Ga2	Ga1	H3	42.245	Ga2	Ga1	H4	42.245
Ga2	Ga1	H5	116.010	Ga2	Ga1	H6	116.010
H3	Ga1	H4	84.490	H3	Ga1	H5	108.943
H3	Ga1	H6	108.943	H3	Ga2	H4	84.490
H3	Ga2	H7	108.943	H3	Ga2	H8	108.943
H4	Ga1	H5	108.943	H4	Ga1	H6	108.943
H4	Ga2	H7	108.943	H4	Ga2	H8	108.943
H5	Ga1	H6	127.980	H7	Ga2	H8	127.980

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYPultrafine/3-21G

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	0.367
2	Ga	0.367
3	H	-0.208
4	H	-0.208
5	H	-0.079
6	H	-0.079
7	H	-0.079
8	H	-0.079

<r²>	155.499
(<r²>)^1/2	12.470

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)