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	hartrees
Energy at 0K	-3835.305467
Energy at 298.15K	-3835.312715
HF Energy	-3835.305467
Nuclear repulsion energy	295.668773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1978	1888	0.00
2	A_g	1506	1438	0.00
3	A_g	722	689	0.00
4	A_g	230	220	0.00
5	A_u	450	430	0.00
6	B_1g	1984	1895	0.00
7	B_1g	474	452	0.00
8	B_1u	1301	1243	199.38
9	B_1u	630	602	105.05
10	B_2g	1327	1267	0.00
11	B_2g	398	380	0.00
12	B_2u	1991	1901	329.62
13	B_2u	740	706	114.50
14	B_2u	186	178	3.17
15	B_3g	739	706	0.00
16	B_3u	1972	1883	124.88
17	B_3u	1348	1287	1043.54
18	B_3u	669	639	448.18

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.299	0.000	0.000
Ga2	-1.299	0.000	0.000
H3	0.000	0.000	1.211
H4	0.000	0.000	-1.211
H5	1.959	1.422	0.000
H6	1.959	-1.422	0.000
H7	-1.959	1.422	0.000
H8	-1.959	-1.422	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5979	1.7757	1.7757	1.5675	1.5675	3.5547	3.5547
Ga2	2.5979		1.7757	1.7757	3.5547	3.5547	1.5675	1.5675
H3	1.7757	1.7757		2.4216	2.7065	2.7065	2.7065	2.7065
H4	1.7757	1.7757	2.4216		2.7065	2.7065	2.7065	2.7065
H5	1.5675	3.5547	2.7065	2.7065		2.8434	3.9181	4.8411
H6	1.5675	3.5547	2.7065	2.7065	2.8434		4.8411	3.9181
H7	3.5547	1.5675	2.7065	2.7065	3.9181	4.8411		2.8434
H8	3.5547	1.5675	2.7065	2.7065	4.8411	3.9181	2.8434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.988	Ga1	Ga2	H4	42.988
Ga1	Ga2	H7	114.907	Ga1	Ga2	H8	114.907
Ga1	H3	Ga2	94.023	Ga1	H4	Ga2	94.023
Ga2	Ga1	H3	42.988	Ga2	Ga1	H4	42.988
Ga2	Ga1	H5	114.907	Ga2	Ga1	H6	114.907
H3	Ga1	H4	85.977	H3	Ga1	H5	107.943
H3	Ga1	H6	107.943	H3	Ga2	H4	85.977
H3	Ga2	H7	107.943	H3	Ga2	H8	107.943
H4	Ga1	H5	107.943	H4	Ga1	H6	107.943
H4	Ga2	H7	107.943	H4	Ga2	H8	107.943
H5	Ga1	H6	130.186	H7	Ga2	H8	130.186

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/3-21G*

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	-0.089
2	Ga	-0.089
3	H	-0.002
4	H	-0.002
5	H	0.046
6	H	0.046
7	H	0.046
8	H	0.046

<r²>	155.247
(<r²>)^1/2	12.460

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)