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	hartrees
Energy at 0K	-3849.943946
Energy at 298.15K	-3849.951163
HF Energy	-3849.943946
Nuclear repulsion energy	297.134172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2009	1998	0.00
2	A_g	1500	1492	0.00
3	A_g	680	677	0.00
4	A_g	217	216	0.00
5	A_u	443	441	0.00
6	B_1g	2016	2005	0.00
7	B_1g	465	462	0.00
8	B_1u	1255	1248	193.34
9	B_1u	626	623	103.16
10	B_2g	1300	1293	0.00
11	B_2g	406	403	0.00
12	B_2u	2023	2012	337.57
13	B_2u	744	740	112.95
14	B_2u	208	207	5.00
15	B_3g	739	735	0.00
16	B_3u	2005	1994	121.49
17	B_3u	1322	1315	894.08
18	B_3u	622	619	467.17

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.946	1.418	0.000
H6	1.946	-1.418	0.000
H7	-1.946	1.418	0.000
H8	-1.946	-1.418	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5897	1.7496	1.7496	1.5607	1.5607	3.5379	3.5379
Ga2	2.5897		1.7496	1.7496	3.5379	3.5379	1.5607	1.5607
H3	1.7496	1.7496		2.3531	2.6803	2.6803	2.6803	2.6803
H4	1.7496	1.7496	2.3531		2.6803	2.6803	2.6803	2.6803
H5	1.5607	3.5379	2.6803	2.6803		2.8365	3.8926	4.8164
H6	1.5607	3.5379	2.6803	2.6803	2.8365		4.8164	3.8926
H7	3.5379	1.5607	2.6803	2.6803	3.8926	4.8164		2.8365
H8	3.5379	1.5607	2.6803	2.6803	4.8164	3.8926	2.8365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.259	Ga1	Ga2	H4	42.259
Ga1	Ga2	H7	114.671	Ga1	Ga2	H8	114.671
Ga1	H3	Ga2	95.481	Ga1	H4	Ga2	95.481
Ga2	Ga1	H3	42.259	Ga2	Ga1	H4	42.259
Ga2	Ga1	H5	114.671	Ga2	Ga1	H6	114.671
H3	Ga1	H4	84.519	H3	Ga1	H5	107.995
H3	Ga1	H6	107.995	H3	Ga2	H4	84.519
H3	Ga2	H7	107.995	H3	Ga2	H8	107.995
H4	Ga1	H5	107.995	H4	Ga1	H6	107.995
H4	Ga2	H7	107.995	H4	Ga2	H8	107.995
H5	Ga1	H6	130.658	H7	Ga2	H8	130.658

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.065
2	Ga	-0.065
3	H	0.004
4	H	0.004
5	H	0.030
6	H	0.030
7	H	0.030
8	H	0.030

<r²>	154.292
(<r²>)^1/2	12.421

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)