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	hartrees
Energy at 0K	-3852.597873
Energy at 298.15K	-3852.605080
HF Energy	-3852.597873
Nuclear repulsion energy	294.203457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1954	1934	0.00
2	A_g	1448	1433	0.00
3	A_g	698	691	0.00
4	A_g	223	221	0.00
5	A_u	445	440	0.00
6	B_1g	1971	1951	0.00
7	B_1g	470	465	0.00
8	B_1u	1222	1209	183.41
9	B_1u	624	617	101.97
10	B_2g	1267	1254	0.00
11	B_2g	396	392	0.00
12	B_2u	1979	1959	330.34
13	B_2u	727	720	104.19
14	B_2u	205	203	3.91
15	B_3g	732	725	0.00
16	B_3u	1950	1930	123.71
17	B_3u	1273	1260	867.85
18	B_3u	637	630	476.49

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.311	0.000	0.000
Ga2	-1.311	0.000	0.000
H3	0.000	0.000	1.187
H4	0.000	0.000	-1.187
H5	1.954	1.423	0.000
H6	1.954	-1.423	0.000
H7	-1.954	1.423	0.000
H8	-1.954	-1.423	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6214	1.7686	1.7686	1.5615	1.5615	3.5610	3.5610
Ga2	2.6214		1.7686	1.7686	3.5610	3.5610	1.5615	1.5615
H3	1.7686	1.7686		2.3750	2.6929	2.6929	2.6929	2.6929
H4	1.7686	1.7686	2.3750		2.6929	2.6929	2.6929	2.6929
H5	1.5615	3.5610	2.6929	2.6929		2.8460	3.9072	4.8339
H6	1.5615	3.5610	2.6929	2.6929	2.8460		4.8339	3.9072
H7	3.5610	1.5615	2.6929	2.6929	3.9072	4.8339		2.8460
H8	3.5610	1.5615	2.6929	2.6929	4.8339	3.9072	2.8460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.176	Ga1	Ga2	H4	42.176
Ga1	Ga2	H7	114.314	Ga1	Ga2	H8	114.314
Ga1	H3	Ga2	95.647	Ga1	H4	Ga2	95.647
Ga2	Ga1	H3	42.176	Ga2	Ga1	H4	42.176
Ga2	Ga1	H5	114.314	Ga2	Ga1	H6	114.314
H3	Ga1	H4	84.353	H3	Ga1	H5	107.766
H3	Ga1	H6	107.766	H3	Ga2	H4	84.353
H3	Ga2	H7	107.766	H3	Ga2	H8	107.766
H4	Ga1	H5	107.766	H4	Ga1	H6	107.766
H4	Ga2	H7	107.766	H4	Ga2	H8	107.766
H5	Ga1	H6	131.372	H7	Ga2	H8	131.372

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBEultrafine/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	0.098
2	Ga	0.098
3	H	-0.014
4	H	-0.014
5	H	-0.042
6	H	-0.042
7	H	-0.042
8	H	-0.042

<r²>	157.011
(<r²>)^1/2	12.530

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)