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	hartrees
Energy at 0K	-3849.371121
Energy at 298.15K	-3849.378249
HF Energy	-3849.371121
Nuclear repulsion energy	295.492515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2045	1937	0.00
2	A_g	1479	1400	0.00
3	A_g	709	671	0.00
4	A_g	226	214	0.00
5	A_u	415	393	0.00
6	B_1g	2047	1938	0.00
7	B_1g	463	438	0.00
8	B_1u	1235	1170	243.67
9	B_1u	622	589	160.70
10	B_2g	1264	1197	0.00
11	B_2g	367	348	0.00
12	B_2u	2053	1944	368.35
13	B_2u	794	752	157.05
14	B_2u	165	157	7.45
15	B_3g	782	741	0.00
16	B_3u	2039	1931	147.72
17	B_3u	1309	1240	1032.41
18	B_3u	651	617	585.56

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.303	0.000	0.000
Ga2	-1.303	0.000	0.000
H3	0.000	0.000	1.190
H4	0.000	0.000	-1.190
H5	1.959	1.417	0.000
H6	1.959	-1.417	0.000
H7	-1.959	1.417	0.000
H8	-1.959	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6055	1.7643	1.7643	1.5617	1.5617	3.5564	3.5564
Ga2	2.6055		1.7643	1.7643	3.5564	3.5564	1.5617	1.5617
H3	1.7643	1.7643		2.3794	2.6947	2.6947	2.6947	2.6947
H4	1.7643	1.7643	2.3794		2.6947	2.6947	2.6947	2.6947
H5	1.5617	3.5564	2.6947	2.6947		2.8341	3.9183	4.8358
H6	1.5617	3.5564	2.6947	2.6947	2.8341		4.8358	3.9183
H7	3.5564	1.5617	2.6947	2.6947	3.9183	4.8358		2.8341
H8	3.5564	1.5617	2.6947	2.6947	4.8358	3.9183	2.8341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.402	Ga1	Ga2	H4	42.402
Ga1	Ga2	H7	114.853	Ga1	Ga2	H8	114.853
Ga1	H3	Ga2	95.195	Ga1	H4	Ga2	95.195
Ga2	Ga1	H3	42.402	Ga2	Ga1	H4	42.402
Ga2	Ga1	H5	114.853	Ga2	Ga1	H6	114.853
H3	Ga1	H4	84.805	H3	Ga1	H5	108.081
H3	Ga1	H6	108.081	H3	Ga2	H4	84.805
H3	Ga2	H7	108.081	H3	Ga2	H8	108.081
H4	Ga1	H5	108.081	H4	Ga1	H6	108.081
H4	Ga2	H7	108.081	H4	Ga2	H8	108.081
H5	Ga1	H6	130.294	H7	Ga2	H8	130.294

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/6-31G*

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	0.059
2	Ga	0.059
3	H	-0.037
4	H	-0.037
5	H	-0.011
6	H	-0.011
7	H	-0.011
8	H	-0.011

<r²>	156.507
(<r²>)^1/2	12.510

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)