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	hartrees
Energy at 0K	-3852.371180
Energy at 298.15K	-3852.378588
HF Energy	-3852.297909
Nuclear repulsion energy	294.718905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2019	1934	0.00
2	A_g	1527	1462	0.00
3	A_g	743	712	0.00
4	A_g	234	224	0.00
5	A_u	462	442	0.00
6	B_1g	2025	1940	0.00
7	B_1g	485	464	0.00
8	B_1u	1254	1201	254.61
9	B_1u	655	627	129.55
10	B_2g	1314	1258	0.00
11	B_2g	397	381	0.00
12	B_2u	2032	1946	337.28
13	B_2u	793	760	138.92
14	B_2u	224	215	5.83
15	B_3g	773	740	0.00
16	B_3u	2014	1929	118.81
17	B_3u	1353	1295	1073.27
18	B_3u	684	655	548.22

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.309	0.000	0.000
Ga2	-1.309	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.965	1.410	0.000
H6	1.965	-1.410	0.000
H7	-1.965	1.410	0.000
H8	-1.965	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6188	1.7606	1.7606	1.5552	1.5552	3.5651	3.5651
Ga2	2.6188		1.7606	1.7606	3.5651	3.5651	1.5552	1.5552
H3	1.7606	1.7606		2.3538	2.6898	2.6898	2.6898	2.6898
H4	1.7606	1.7606	2.3538		2.6898	2.6898	2.6898	2.6898
H5	1.5552	3.5651	2.6898	2.6898		2.8207	3.9298	4.8373
H6	1.5552	3.5651	2.6898	2.6898	2.8207		4.8373	3.9298
H7	3.5651	1.5552	2.6898	2.6898	3.9298	4.8373		2.8207
H8	3.5651	1.5552	2.6898	2.6898	4.8373	3.9298	2.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.950	Ga1	Ga2	H4	41.950
Ga1	Ga2	H7	114.928	Ga1	Ga2	H8	114.928
Ga1	H3	Ga2	96.101	Ga1	H4	Ga2	96.101
Ga2	Ga1	H3	41.950	Ga2	Ga1	H4	41.950
Ga2	Ga1	H5	114.928	Ga2	Ga1	H6	114.928
H3	Ga1	H4	83.899	H3	Ga1	H5	108.268
H3	Ga1	H6	108.268	H3	Ga2	H4	83.899
H3	Ga2	H7	108.268	H3	Ga2	H8	108.268
H4	Ga1	H5	108.268	H4	Ga1	H6	108.268
H4	Ga2	H7	108.268	H4	Ga2	H8	108.268
H5	Ga1	H6	130.145	H7	Ga2	H8	130.145

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP/cc-pVDZ

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	0.251
2	Ga	0.251
3	H	-0.096
4	H	-0.096
5	H	-0.078
6	H	-0.078
7	H	-0.078
8	H	-0.078

<r²>	156.901
(<r²>)^1/2	12.526

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)