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	hartrees
Energy at 0K	-3850.809022
Energy at 298.15K	-3850.816410
HF Energy	-3849.853620
Nuclear repulsion energy	296.016325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2051	1942	0.00
2	A_g	1502	1422	0.00
3	A_g	758	718	0.00
4	A_g	234	222	0.00
5	A_u	468	443	0.00
6	B_1g	2060	1951	0.00
7	B_1g	481	455	0.00
8	B_1u	1249	1183	246.21
9	B_1u	667	632	132.27
10	B_2g	1315	1246	0.00
11	B_2g	402	381	0.00
12	B_2u	2066	1957	341.30
13	B_2u	772	731	138.01
14	B_2u	210	199	5.55
15	B_3g	771	730	0.00
16	B_3u	2045	1937	122.66
17	B_3u	1344	1273	1130.56
18	B_3u	696	659	571.79

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.302	0.000	0.000
Ga2	-1.302	0.000	0.000
H3	0.000	0.000	1.185
H4	0.000	0.000	-1.185
H5	1.944	1.411	0.000
H6	1.944	-1.411	0.000
H7	-1.944	1.411	0.000
H8	-1.944	-1.411	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6050	1.7607	1.7607	1.5504	1.5504	3.5400	3.5400
Ga2	2.6050		1.7607	1.7607	3.5400	3.5400	1.5504	1.5504
H3	1.7607	1.7607		2.3696	2.6786	2.6786	2.6786	2.6786
H4	1.7607	1.7607	2.3696		2.6786	2.6786	2.6786	2.6786
H5	1.5504	3.5400	2.6786	2.6786		2.8230	3.8878	4.8046
H6	1.5504	3.5400	2.6786	2.6786	2.8230		4.8046	3.8878
H7	3.5400	1.5504	2.6786	2.6786	3.8878	4.8046		2.8230
H8	3.5400	1.5504	2.6786	2.6786	4.8046	3.8878	2.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.291	Ga1	Ga2	H4	42.291
Ga1	Ga2	H7	114.439	Ga1	Ga2	H8	114.439
Ga1	H3	Ga2	95.418	Ga1	H4	Ga2	95.418
Ga2	Ga1	H3	42.291	Ga2	Ga1	H4	42.291
Ga2	Ga1	H5	114.439	Ga2	Ga1	H6	114.439
H3	Ga1	H4	84.582	H3	Ga1	H5	107.821
H3	Ga1	H6	107.821	H3	Ga2	H4	84.582
H3	Ga2	H7	107.821	H3	Ga2	H8	107.821
H4	Ga1	H5	107.821	H4	Ga1	H6	107.821
H4	Ga2	H7	107.821	H4	Ga2	H8	107.821
H5	Ga1	H6	131.123	H7	Ga2	H8	131.123

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)