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	hartrees
Energy at 0K	-3850.112417
Energy at 298.15K	-3850.119896
HF Energy	-3849.881567
Nuclear repulsion energy	296.599988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2041	1939	0.00
2	A_g	1563	1485	0.00
3	A_g	764	726	0.00
4	A_g	243	231	0.00
5	A_u	468	445	0.00
6	B_1g	2042	1941	0.00
7	B_1g	487	463	0.00
8	B_1u	1286	1222	288.81
9	B_1u	664	631	166.18
10	B_2g	1361	1293	0.00
11	B_2g	409	389	0.00
12	B_2u	2048	1946	354.12
13	B_2u	814	774	166.35
14	B_2u	220	210	7.58
15	B_3g	789	750	0.00
16	B_3u	2034	1933	125.91
17	B_3u	1399	1330	1142.10
18	B_3u	708	673	590.33

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	1.174
H4	0.000	0.000	-1.174
H5	1.960	1.404	0.000
H6	1.960	-1.404	0.000
H7	-1.960	1.404	0.000
H8	-1.960	-1.404	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5988	1.7509	1.7509	1.5518	1.5518	3.5489	3.5489
Ga2	2.5988		1.7509	1.7509	3.5489	3.5489	1.5518	1.5518
H3	1.7509	1.7509		2.3472	2.6815	2.6815	2.6815	2.6815
H4	1.7509	1.7509	2.3472		2.6815	2.6815	2.6815	2.6815
H5	1.5518	3.5489	2.6815	2.6815		2.8085	3.9198	4.8221
H6	1.5518	3.5489	2.6815	2.6815	2.8085		4.8221	3.9198
H7	3.5489	1.5518	2.6815	2.6815	3.9198	4.8221		2.8085
H8	3.5489	1.5518	2.6815	2.6815	4.8221	3.9198	2.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.087	Ga1	Ga2	H4	42.087
Ga1	Ga2	H7	115.190	Ga1	Ga2	H8	115.190
Ga1	H3	Ga2	95.826	Ga1	H4	Ga2	95.826
Ga2	Ga1	H3	42.087	Ga2	Ga1	H4	42.087
Ga2	Ga1	H5	115.190	Ga2	Ga1	H6	115.190
H3	Ga1	H4	84.174	H3	Ga1	H5	108.413
H3	Ga1	H6	108.413	H3	Ga2	H4	84.174
H3	Ga2	H7	108.413	H3	Ga2	H8	108.413
H4	Ga1	H5	108.413	H4	Ga1	H6	108.413
H4	Ga2	H7	108.413	H4	Ga2	H8	108.413
H5	Ga1	H6	129.621	H7	Ga2	H8	129.621

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/cc-pVDZ

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)