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	hartrees
Energy at 0K	-3853.764127
Energy at 298.15K	-3853.771471
HF Energy	-3853.764127
Nuclear repulsion energy	296.870620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2020	1942	0.00
2	A_g	1524	1465	0.00
3	A_g	728	700	0.00
4	A_g	233	224	0.00
5	A_u	458	440	0.00
6	B_1g	2028	1949	0.00
7	B_1g	475	457	0.00
8	B_1u	1289	1239	223.89
9	B_1u	646	621	118.27
10	B_2g	1338	1286	0.00
11	B_2g	411	395	0.00
12	B_2u	2035	1956	342.47
13	B_2u	760	730	118.97
14	B_2u	201	193	4.69
15	B_3g	758	729	0.00
16	B_3u	2015	1937	125.22
17	B_3u	1356	1303	986.74
18	B_3u	669	643	495.14

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.297	0.000	0.000
Ga2	-1.297	0.000	0.000
H3	0.000	0.000	1.185
H4	0.000	0.000	-1.185
H5	1.948	1.411	0.000
H6	1.948	-1.411	0.000
H7	-1.948	1.411	0.000
H8	-1.948	-1.411	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5935	1.7565	1.7565	1.5542	1.5542	3.5385	3.5385
Ga2	2.5935		1.7565	1.7565	3.5385	3.5385	1.5542	1.5542
H3	1.7565	1.7565		2.3697	2.6815	2.6815	2.6815	2.6815
H4	1.7565	1.7565	2.3697		2.6815	2.6815	2.6815	2.6815
H5	1.5542	3.5385	2.6815	2.6815		2.8221	3.8964	4.8111
H6	1.5542	3.5385	2.6815	2.6815	2.8221		4.8111	3.8964
H7	3.5385	1.5542	2.6815	2.6815	3.8964	4.8111		2.8221
H8	3.5385	1.5542	2.6815	2.6815	4.8111	3.8964	2.8221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.418	Ga1	Ga2	H4	42.418
Ga1	Ga2	H7	114.782	Ga1	Ga2	H8	114.782
Ga1	H3	Ga2	95.165	Ga1	H4	Ga2	95.165
Ga2	Ga1	H3	42.418	Ga2	Ga1	H4	42.418
Ga2	Ga1	H5	114.782	Ga2	Ga1	H6	114.782
H3	Ga1	H4	84.835	H3	Ga1	H5	108.026
H3	Ga1	H6	108.026	H3	Ga2	H4	84.835
H3	Ga2	H7	108.026	H3	Ga2	H8	108.026
H4	Ga1	H5	108.026	H4	Ga1	H6	108.026
H4	Ga2	H7	108.026	H4	Ga2	H8	108.026
H5	Ga1	H6	130.437	H7	Ga2	H8	130.437

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/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	0.172
2	Ga	0.172
3	H	-0.053
4	H	-0.053
5	H	-0.060
6	H	-0.060
7	H	-0.060
8	H	-0.060

<r²>	154.264
(<r²>)^1/2	12.420

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)