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	hartrees
Energy at 0K	-3849.875635
Energy at 298.15K	-3849.882750
HF Energy	-3849.875635
Nuclear repulsion energy	296.781208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2058	1960	0.00
2	A_g	1556	1482	0.00
3	A_g	697	664	0.00
4	A_g	231	220	0.00
5	A_u	401	381	0.00
6	B_1g	2051	1953	0.00
7	B_1g	441	420	0.00
8	B_1u	1301	1239	264.08
9	B_1u	610	581	165.94
10	B_2g	1366	1301	0.00
11	B_2g	382	364	0.00
12	B_2u	2056	1959	412.78
13	B_2u	797	759	166.03
14	B_2u	145	138	10.34
15	B_3g	771	735	0.00
16	B_3u	2052	1954	132.69
17	B_3u	1422	1355	1075.59
18	B_3u	645	614	548.21

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.296	0.000	0.000
Ga2	-1.296	0.000	0.000
H3	0.000	0.000	1.174
H4	0.000	0.000	-1.174
H5	1.961	1.417	0.000
H6	1.961	-1.417	0.000
H7	-1.961	1.417	0.000
H8	-1.961	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5921	1.7487	1.7487	1.5648	1.5648	3.5516	3.5516
Ga2	2.5921		1.7487	1.7487	3.5516	3.5516	1.5648	1.5648
H3	1.7487	1.7487		2.3478	2.6888	2.6888	2.6888	2.6888
H4	1.7487	1.7487	2.3478		2.6888	2.6888	2.6888	2.6888
H5	1.5648	3.5516	2.6888	2.6888		2.8332	3.9216	4.8380
H6	1.5648	3.5516	2.6888	2.6888	2.8332		4.8380	3.9216
H7	3.5516	1.5648	2.6888	2.6888	3.9216	4.8380		2.8332
H8	3.5516	1.5648	2.6888	2.6888	4.8380	3.9216	2.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.168	Ga1	Ga2	H4	42.168
Ga1	Ga2	H7	115.137	Ga1	Ga2	H8	115.137
Ga1	H3	Ga2	95.664	Ga1	H4	Ga2	95.664
Ga2	Ga1	H3	42.168	Ga2	Ga1	H4	42.168
Ga2	Ga1	H5	115.137	Ga2	Ga1	H6	115.137
H3	Ga1	H4	84.336	H3	Ga1	H5	108.351
H3	Ga1	H6	108.351	H3	Ga2	H4	84.336
H3	Ga2	H7	108.351	H3	Ga2	H8	108.351
H4	Ga1	H5	108.351	H4	Ga1	H6	108.351
H4	Ga2	H7	108.351	H4	Ga2	H8	108.351
H5	Ga1	H6	129.726	H7	Ga2	H8	129.726

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/6-31G(2df,p)

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	0.087
2	Ga	0.087
3	H	-0.063
4	H	-0.063
5	H	-0.012
6	H	-0.012
7	H	-0.012
8	H	-0.012

<r²>	155.153
(<r²>)^1/2	12.456

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)