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	hartrees
Energy at 0K	-3853.194294
Energy at 298.15K	-3853.201378
HF Energy	-3853.194294
Nuclear repulsion energy	291.627212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2010	2010	0.00
2	A_g	1509	1509	0.00
3	A_g	712	712	0.00
4	A_g	230	230	0.00
5	A_u	391	391	0.00
6	B_1g	2008	2008	0.00
7	B_1g	445	445	0.00
8	B_1u	1240	1240	261.22
9	B_1u	609	609	153.41
10	B_2g	1307	1307	0.00
11	B_2g	344	344	0.00
12	B_2u	2014	2014	412.35
13	B_2u	791	791	163.05
14	B_2u	148	148	9.01
15	B_3g	757	757	0.00
16	B_3u	2005	2005	127.90
17	B_3u	1371	1371	1133.95
18	B_3u	655	655	600.46

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.325	0.000	0.000
Ga2	-1.325	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.985	1.423	0.000
H6	1.985	-1.423	0.000
H7	-1.985	1.423	0.000
H8	-1.985	-1.423	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6496	1.7734	1.7734	1.5682	1.5682	3.6024	3.6024
Ga2	2.6496		1.7734	1.7734	3.6024	3.6024	1.5682	1.5682
H3	1.7734	1.7734		2.3578	2.7116	2.7116	2.7116	2.7116
H4	1.7734	1.7734	2.3578		2.7116	2.7116	2.7116	2.7116
H5	1.5682	3.6024	2.7116	2.7116		2.8453	3.9695	4.8839
H6	1.5682	3.6024	2.7116	2.7116	2.8453		4.8839	3.9695
H7	3.6024	1.5682	2.7116	2.7116	3.9695	4.8839		2.8453
H8	3.6024	1.5682	2.7116	2.7116	4.8839	3.9695	2.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.664	Ga1	Ga2	H4	41.664
Ga1	Ga2	H7	114.885	Ga1	Ga2	H8	114.885
Ga1	H3	Ga2	96.671	Ga1	H4	Ga2	96.671
Ga2	Ga1	H3	41.664	Ga2	Ga1	H4	41.664
Ga2	Ga1	H5	114.885	Ga2	Ga1	H6	114.885
H3	Ga1	H4	83.329	H3	Ga1	H5	108.322
H3	Ga1	H6	108.322	H3	Ga2	H4	83.329
H3	Ga2	H7	108.322	H3	Ga2	H8	108.322
H4	Ga1	H5	108.322	H4	Ga1	H6	108.322
H4	Ga2	H7	108.322	H4	Ga2	H8	108.322
H5	Ga1	H6	130.230	H7	Ga2	H8	130.230

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/aug-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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Number	Element	Mulliken
1	Ga	-0.328
2	Ga	-0.328
3	H	0.132
4	H	0.132
5	H	0.098
6	H	0.098
7	H	0.098
8	H	0.098

<r²>	160.305
(<r²>)^1/2	12.661

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)