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	hartrees
Energy at 0K	-3853.177949
Energy at 298.15K	-3853.185044
HF Energy	-3853.177949
Nuclear repulsion energy	290.866322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2006	2006	0.00
2	A_g	1482	1482	0.00
3	A_g	711	711	0.00
4	A_g	228	228	0.00
5	A_u	395	395	0.00
6	B_1g	2006	2006	0.00
7	B_1g	451	451	0.00
8	B_1u	1222	1222	277.77
9	B_1u	609	609	154.83
10	B_2g	1289	1289	0.00
11	B_2g	351	351	0.00
12	B_2u	2012	2012	421.44
13	B_2u	793	793	166.58
14	B_2u	163	163	7.69
15	B_3g	764	764	0.00
16	B_3u	2000	2000	134.26
17	B_3u	1355	1355	1144.76
18	B_3u	654	654	599.95

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.330	0.000	0.000
Ga2	-1.330	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.985	1.424	0.000
H6	1.985	-1.424	0.000
H7	-1.985	1.424	0.000
H8	-1.985	-1.424	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6591	1.7767	1.7767	1.5674	1.5674	3.6078	3.6078
Ga2	2.6591		1.7767	1.7767	3.6078	3.6078	1.5674	1.5674
H3	1.7767	1.7767		2.3570	2.7125	2.7125	2.7125	2.7125
H4	1.7767	1.7767	2.3570		2.7125	2.7125	2.7125	2.7125
H5	1.5674	3.6078	2.7125	2.7125		2.8472	3.9710	4.8862
H6	1.5674	3.6078	2.7125	2.7125	2.8472		4.8862	3.9710
H7	3.6078	1.5674	2.7125	2.7125	3.9710	4.8862		2.8472
H8	3.6078	1.5674	2.7125	2.7125	4.8862	3.9710	2.8472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.554	Ga1	Ga2	H4	41.554
Ga1	Ga2	H7	114.738	Ga1	Ga2	H8	114.738
Ga1	H3	Ga2	96.893	Ga1	H4	Ga2	96.893
Ga2	Ga1	H3	41.554	Ga2	Ga1	H4	41.554
Ga2	Ga1	H5	114.738	Ga2	Ga1	H6	114.738
H3	Ga1	H4	83.107	H3	Ga1	H5	108.250
H3	Ga1	H6	108.250	H3	Ga2	H4	83.107
H3	Ga2	H7	108.250	H3	Ga2	H8	108.250
H4	Ga1	H5	108.250	H4	Ga1	H6	108.250
H4	Ga2	H7	108.250	H4	Ga2	H8	108.250
H5	Ga1	H6	130.523	H7	Ga2	H8	130.523

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/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	0.133
2	Ga	0.133
3	H	-0.036
4	H	-0.036
5	H	-0.048
6	H	-0.048
7	H	-0.048
8	H	-0.048

<r²>	161.072
(<r²>)^1/2	12.691

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)