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	hartrees
Energy at 0K	-3853.327208
Energy at 298.15K	-3853.334334
HF Energy	-3853.327208
Nuclear repulsion energy	291.760622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2008	1918	0.00
2	A_g	1508	1441	0.00
3	A_g	714	682	0.00
4	A_g	231	220	0.00
5	A_u	398	380	0.00
6	B_1g	2006	1916	0.00
7	B_1g	443	423	0.00
8	B_1u	1247	1191	274.36
9	B_1u	612	584	155.45
10	B_2g	1320	1261	0.00
11	B_2g	363	347	0.00
12	B_2u	2013	1923	411.24
13	B_2u	793	757	158.64
14	B_2u	154	147	8.98
15	B_3g	761	727	0.00
16	B_3u	2002	1913	129.83
17	B_3u	1379	1318	1121.47
18	B_3u	658	629	585.82

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.324	0.000	0.000
Ga2	-1.324	0.000	0.000
H3	0.000	0.000	1.181
H4	0.000	0.000	-1.181
H5	1.986	1.419	0.000
H6	1.986	-1.419	0.000
H7	-1.986	1.419	0.000
H8	-1.986	-1.419	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6484	1.7745	1.7745	1.5659	1.5659	3.6018	3.6018
Ga2	2.6484		1.7745	1.7745	3.6018	3.6018	1.5659	1.5659
H3	1.7745	1.7745		2.3625	2.7119	2.7119	2.7119	2.7119
H4	1.7745	1.7745	2.3625		2.7119	2.7119	2.7119	2.7119
H5	1.5659	3.6018	2.7119	2.7119		2.8381	3.9725	4.8822
H6	1.5659	3.6018	2.7119	2.7119	2.8381		4.8822	3.9725
H7	3.6018	1.5659	2.7119	2.7119	3.9725	4.8822		2.8381
H8	3.6018	1.5659	2.7119	2.7119	4.8822	3.9725	2.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.735	Ga1	Ga2	H4	41.735
Ga1	Ga2	H7	115.011	Ga1	Ga2	H8	115.011
Ga1	H3	Ga2	96.531	Ga1	H4	Ga2	96.531
Ga2	Ga1	H3	41.735	Ga2	Ga1	H4	41.735
Ga2	Ga1	H5	115.011	Ga2	Ga1	H6	115.011
H3	Ga1	H4	83.469	H3	Ga1	H5	108.391
H3	Ga1	H6	108.391	H3	Ga2	H4	83.469
H3	Ga2	H7	108.391	H3	Ga2	H8	108.391
H4	Ga1	H5	108.391	H4	Ga1	H6	108.391
H4	Ga2	H7	108.391	H4	Ga2	H8	108.391
H5	Ga1	H6	129.977	H7	Ga2	H8	129.977

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/cc-pVTZ

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	0.235
2	Ga	0.235
3	H	-0.072
4	H	-0.072
5	H	-0.081
6	H	-0.081
7	H	-0.081
8	H	-0.081

<r²>	160.120
(<r²>)^1/2	12.654

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)