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	hartrees
Energy at 0K	-3852.597948
Energy at 298.15K	-3852.605160
HF Energy	-3852.597948
Nuclear repulsion energy	294.272218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1974	1954	0.00
2	A_g	1457	1442	0.00
3	A_g	697	690	0.00
4	A_g	223	221	0.00
5	A_u	446	441	0.00
6	B_1g	1991	1971	0.00
7	B_1g	469	464	0.00
8	B_1u	1230	1217	182.80
9	B_1u	625	618	102.30
10	B_2g	1274	1260	0.00
11	B_2g	399	395	0.00
12	B_2u	1999	1978	330.53
13	B_2u	729	722	103.79
14	B_2u	203	201	4.06
15	B_3g	734	726	0.00
16	B_3u	1970	1950	123.59
17	B_3u	1282	1268	868.86
18	B_3u	636	629	474.87

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.310	0.000	0.000
Ga2	-1.310	0.000	0.000
H3	0.000	0.000	1.187
H4	0.000	0.000	-1.187
H5	1.953	1.423	0.000
H6	1.953	-1.423	0.000
H7	-1.953	1.423	0.000
H8	-1.953	-1.423	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6206	1.7681	1.7681	1.5617	1.5617	3.5605	3.5605
Ga2	2.6206		1.7681	1.7681	3.5605	3.5605	1.5617	1.5617
H3	1.7681	1.7681		2.3745	2.6927	2.6927	2.6927	2.6927
H4	1.7681	1.7681	2.3745		2.6927	2.6927	2.6927	2.6927
H5	1.5617	3.5605	2.6927	2.6927		2.8462	3.9068	4.8337
H6	1.5617	3.5605	2.6927	2.6927	2.8462		4.8337	3.9068
H7	3.5605	1.5617	2.6927	2.6927	3.9068	4.8337		2.8462
H8	3.5605	1.5617	2.6927	2.6927	4.8337	3.9068	2.8462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.179	Ga1	Ga2	H4	42.179
Ga1	Ga2	H7	114.320	Ga1	Ga2	H8	114.320
Ga1	H3	Ga2	95.641	Ga1	H4	Ga2	95.641
Ga2	Ga1	H3	42.179	Ga2	Ga1	H4	42.179
Ga2	Ga1	H5	114.320	Ga2	Ga1	H6	114.320
H3	Ga1	H4	84.359	H3	Ga1	H5	107.769
H3	Ga1	H6	107.769	H3	Ga2	H4	84.359
H3	Ga2	H7	107.769	H3	Ga2	H8	107.769
H4	Ga1	H5	107.769	H4	Ga1	H6	107.769
H4	Ga2	H7	107.769	H4	Ga2	H8	107.769
H5	Ga1	H6	131.361	H7	Ga2	H8	131.361

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBE/6-311G*

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	0.098
2	Ga	0.098
3	H	-0.014
4	H	-0.014
5	H	-0.042
6	H	-0.042
7	H	-0.042
8	H	-0.042

<r²>	156.942
(<r²>)^1/2	12.528

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)