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	hartrees
Energy at 0K	-3849.242350
Energy at 298.15K	-3849.249398
HF Energy	-3849.242350
Nuclear repulsion energy	295.011687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2036	2036	0.00
2	A_g	1499	1499	0.00
3	A_g	704	704	0.00
4	A_g	232	232	0.00
5	A_u	395	395	0.00
6	B_1g	2031	2031	0.00
7	B_1g	423	423	0.00
8	B_1u	1251	1251	362.92
9	B_1u	604	604	169.28
10	B_2g	1315	1315	0.00
11	B_2g	360	360	0.00
12	B_2u	2039	2039	459.50
13	B_2u	807	807	252.55
14	B_2u	143	143	7.72
15	B_3g	756	756	0.00
16	B_3u	2029	2029	136.82
17	B_3u	1388	1388	1196.89
18	B_3u	652	652	614.83

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.305	0.000	0.000
Ga2	-1.305	0.000	0.000
H3	0.000	0.000	1.176
H4	0.000	0.000	-1.176
H5	1.960	1.427	0.000
H6	1.960	-1.427	0.000
H7	-1.960	1.427	0.000
H8	-1.960	-1.427	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6107	1.7571	1.7571	1.5696	1.5696	3.5633	3.5633
Ga2	2.6107		1.7571	1.7571	3.5633	3.5633	1.5696	1.5696
H3	1.7571	1.7571		2.3525	2.6944	2.6944	2.6944	2.6944
H4	1.7571	1.7571	2.3525		2.6944	2.6944	2.6944	2.6944
H5	1.5696	3.5633	2.6944	2.6944		2.8533	3.9197	4.8483
H6	1.5696	3.5633	2.6944	2.6944	2.8533		4.8483	3.9197
H7	3.5633	1.5696	2.6944	2.6944	3.9197	4.8483		2.8533
H8	3.5633	1.5696	2.6944	2.6944	4.8483	3.9197	2.8533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.022	Ga1	Ga2	H4	42.022
Ga1	Ga2	H7	114.645	Ga1	Ga2	H8	114.645
Ga1	H3	Ga2	95.956	Ga1	H4	Ga2	95.956
Ga2	Ga1	H3	42.022	Ga2	Ga1	H4	42.022
Ga2	Ga1	H5	114.645	Ga2	Ga1	H6	114.645
H3	Ga1	H4	84.044	H3	Ga1	H5	108.046
H3	Ga1	H6	108.046	H3	Ga2	H4	84.044
H3	Ga2	H7	108.046	H3	Ga2	H8	108.046
H4	Ga1	H5	108.046	H4	Ga1	H6	108.046
H4	Ga2	H7	108.046	H4	Ga2	H8	108.046
H5	Ga1	H6	130.710	H7	Ga2	H8	130.710

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/6-31G

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	0.556
2	Ga	0.556
3	H	-0.281
4	H	-0.281
5	H	-0.137
6	H	-0.137
7	H	-0.137
8	H	-0.137

<r²>	157.038
(<r²>)^1/2	12.531

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)