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	hartrees
Energy at 0K	-3849.435564
Energy at 298.15K	-3849.442988
HF Energy	-3849.435564
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2054	1949	0.00
2	A_g	1519	1441	0.00
3	A_g	738	700	0.00
4	A_g	232	220	0.00
5	A_u	485	460	0.00
6	B_1g	2058	1952	0.00
7	B_1g	508	482	0.00
8	B_1u	1287	1221	205.58
9	B_1u	668	633	124.04
10	B_2g	1290	1224	0.00
11	B_2g	410	389	0.00
12	B_2u	2064	1958	350.83
13	B_2u	790	750	122.58
14	B_2u	225	213	5.01
15	B_3g	805	763	0.00
16	B_3u	2047	1941	144.61
17	B_3u	1287	1220	981.87
18	B_3u	673	639	533.78

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.292	0.000	0.000
Ga2	-1.292	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.966	1.392	0.000
H6	1.966	-1.392	0.000
H7	-1.966	1.392	0.000
H8	-1.966	-1.392	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5843	1.7493	1.7493	1.5464	1.5464	3.5430	3.5430
Ga2	2.5843		1.7493	1.7493	3.5430	3.5430	1.5464	1.5464
H3	1.7493	1.7493		2.3583	2.6819	2.6819	2.6819	2.6819
H4	1.7493	1.7493	2.3583		2.6819	2.6819	2.6819	2.6819
H5	1.5464	3.5430	2.6819	2.6819		2.7839	3.9318	4.8176
H6	1.5464	3.5430	2.6819	2.6819	2.7839		4.8176	3.9318
H7	3.5430	1.5464	2.6819	2.6819	3.9318	4.8176		2.7839
H8	3.5430	1.5464	2.6819	2.6819	4.8176	3.9318	2.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.381	Ga1	Ga2	H4	42.381
Ga1	Ga2	H7	115.828	Ga1	Ga2	H8	115.828
Ga1	H3	Ga2	95.238	Ga1	H4	Ga2	95.238
Ga2	Ga1	H3	42.381	Ga2	Ga1	H4	42.381
Ga2	Ga1	H5	115.828	Ga2	Ga1	H6	115.828
H3	Ga1	H4	84.762	H3	Ga1	H5	108.773
H3	Ga1	H6	108.773	H3	Ga2	H4	84.762
H3	Ga2	H7	108.773	H3	Ga2	H8	108.773
H4	Ga1	H5	108.773	H4	Ga1	H6	108.773
H4	Ga2	H7	108.773	H4	Ga2	H8	108.773
H5	Ga1	H6	128.345	H7	Ga2	H8	128.345

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: wB97X-D/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	-0.024
2	Ga	-0.024
3	H	0.004
4	H	0.004
5	H	0.010
6	H	0.010
7	H	0.010
8	H	0.010

<r²>	150.580
(<r²>)^1/2	12.271

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)