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	hartrees
Energy at 0K	-3853.328676
Energy at 298.15K	-3853.335796
HF Energy	-3853.328676
Nuclear repulsion energy	291.831881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2005	1916	0.00
2	A_g	1507	1441	0.00
3	A_g	713	681	0.00
4	A_g	230	220	0.00
5	A_u	398	380	0.00
6	B_1g	2001	1912	0.00
7	B_1g	441	422	0.00
8	B_1u	1245	1190	261.97
9	B_1u	612	585	152.84
10	B_2g	1320	1261	0.00
11	B_2g	364	347	0.00
12	B_2u	2008	1919	408.54
13	B_2u	790	755	155.92
14	B_2u	152	145	8.77
15	B_3g	759	726	0.00
16	B_3u	1999	1911	129.34
17	B_3u	1377	1316	1112.40
18	B_3u	658	629	584.12

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.324	0.000	0.000
Ga2	-1.324	0.000	0.000
H3	0.000	0.000	1.181
H4	0.000	0.000	-1.181
H5	1.985	1.418	0.000
H6	1.985	-1.418	0.000
H7	-1.985	1.418	0.000
H8	-1.985	-1.418	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6479	1.7744	1.7744	1.5650	1.5650	3.6004	3.6004
Ga2	2.6479		1.7744	1.7744	3.6004	3.6004	1.5650	1.5650
H3	1.7744	1.7744		2.3628	2.7109	2.7109	2.7109	2.7109
H4	1.7744	1.7744	2.3628		2.7109	2.7109	2.7109	2.7109
H5	1.5650	3.6004	2.7109	2.7109		2.8367	3.9707	4.8799
H6	1.5650	3.6004	2.7109	2.7109	2.8367		4.8799	3.9707
H7	3.6004	1.5650	2.7109	2.7109	3.9707	4.8799		2.8367
H8	3.6004	1.5650	2.7109	2.7109	4.8799	3.9707	2.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.744	Ga1	Ga2	H4	41.744
Ga1	Ga2	H7	115.001	Ga1	Ga2	H8	115.001
Ga1	H3	Ga2	96.511	Ga1	H4	Ga2	96.511
Ga2	Ga1	H3	41.744	Ga2	Ga1	H4	41.744
Ga2	Ga1	H5	115.001	Ga2	Ga1	H6	115.001
H3	Ga1	H4	83.489	H3	Ga1	H5	108.381
H3	Ga1	H6	108.381	H3	Ga2	H4	83.489
H3	Ga2	H7	108.381	H3	Ga2	H8	108.381
H4	Ga1	H5	108.381	H4	Ga1	H6	108.381
H4	Ga2	H7	108.381	H4	Ga2	H8	108.381
H5	Ga1	H6	129.999	H7	Ga2	H8	129.999

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.080
2	Ga	-0.080
3	H	0.046
4	H	0.046
5	H	0.017
6	H	0.017
7	H	0.017
8	H	0.017

<r²>	160.024
(<r²>)^1/2	12.650

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)