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	hartrees
Energy at 0K	-3849.457620
Energy at 298.15K	-3849.465141
HF Energy	-3849.457620
Nuclear repulsion energy	299.386101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2049	1973	0.00
2	A_g	1598	1538	0.00
3	A_g	732	704	0.00
4	A_g	232	223	0.00
5	A_u	475	457	0.00
6	B_1g	2057	1981	0.00
7	B_1g	505	486	0.00
8	B_1u	1382	1330	189.22
9	B_1u	656	632	118.84
10	B_2g	1425	1371	0.00
11	B_2g	444	428	0.00
12	B_2u	2064	1987	340.97
13	B_2u	798	769	119.03
14	B_2u	253	244	5.03
15	B_3g	800	770	0.00
16	B_3u	2045	1969	133.29
17	B_3u	1442	1388	989.32
18	B_3u	672	647	456.39

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.283	0.000	0.000
Ga2	-1.283	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
H5	1.940	1.412	0.000
H6	1.940	-1.412	0.000
H7	-1.940	1.412	0.000
H8	-1.940	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5662	1.7376	1.7376	1.5576	1.5576	3.5188	3.5188
Ga2	2.5662		1.7376	1.7376	3.5188	3.5188	1.5576	1.5576
H3	1.7376	1.7376		2.3434	2.6703	2.6703	2.6703	2.6703
H4	1.7376	1.7376	2.3434		2.6703	2.6703	2.6703	2.6703
H5	1.5576	3.5188	2.6703	2.6703		2.8247	3.8797	4.7990
H6	1.5576	3.5188	2.6703	2.6703	2.8247		4.7990	3.8797
H7	3.5188	1.5576	2.6703	2.6703	3.8797	4.7990		2.8247
H8	3.5188	1.5576	2.6703	2.6703	4.7990	3.8797	2.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.402	Ga1	Ga2	H4	42.402
Ga1	Ga2	H7	114.938	Ga1	Ga2	H8	114.938
Ga1	H3	Ga2	95.197	Ga1	H4	Ga2	95.197
Ga2	Ga1	H3	42.402	Ga2	Ga1	H4	42.402
Ga2	Ga1	H5	114.938	Ga2	Ga1	H6	114.938
H3	Ga1	H4	84.803	H3	Ga1	H5	108.140
H3	Ga1	H6	108.140	H3	Ga2	H4	84.803
H3	Ga2	H7	108.140	H3	Ga2	H8	108.140
H4	Ga1	H5	108.140	H4	Ga1	H6	108.140
H4	Ga2	H7	108.140	H4	Ga2	H8	108.140
H5	Ga1	H6	130.125	H7	Ga2	H8	130.125

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYPultrafine/6-31+G**

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	0.073
2	Ga	0.073
3	H	-0.028
4	H	-0.028
5	H	-0.023
6	H	-0.023
7	H	-0.023
8	H	-0.023

<r²>	152.368
(<r²>)^1/2	12.344

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)