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	hartrees
Energy at 0K	-3852.689081
Energy at 298.15K	-3852.696445
HF Energy	-3852.689081
Nuclear repulsion energy	296.333352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2017	1940	0.00
2	A_g	1520	1462	0.00
3	A_g	730	702	0.00
4	A_g	233	224	0.00
5	A_u	460	443	0.00
6	B_1g	2026	1949	0.00
7	B_1g	481	463	0.00
8	B_1u	1274	1225	214.22
9	B_1u	647	623	111.61
10	B_2g	1328	1277	0.00
11	B_2g	410	394	0.00
12	B_2u	2033	1956	326.12
13	B_2u	760	731	112.66
14	B_2u	212	204	4.97
15	B_3g	755	726	0.00
16	B_3u	2013	1936	120.11
17	B_3u	1344	1293	958.46
18	B_3u	671	645	486.60

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	1.185
H4	0.000	0.000	-1.185
H5	1.952	1.413	0.000
H6	1.952	-1.413	0.000
H7	-1.952	1.413	0.000
H8	-1.952	-1.413	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5986	1.7588	1.7588	1.5566	1.5566	3.5450	3.5450
Ga2	2.5986		1.7588	1.7588	3.5450	3.5450	1.5566	1.5566
H3	1.7588	1.7588		2.3709	2.6855	2.6855	2.6855	2.6855
H4	1.7588	1.7588	2.3709		2.6855	2.6855	2.6855	2.6855
H5	1.5566	3.5450	2.6855	2.6855		2.8263	3.9038	4.8195
H6	1.5566	3.5450	2.6855	2.6855	2.8263		4.8195	3.9038
H7	3.5450	1.5566	2.6855	2.6855	3.9038	4.8195		2.8263
H8	3.5450	1.5566	2.6855	2.6855	4.8195	3.9038	2.8263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.376	Ga1	Ga2	H4	42.376
Ga1	Ga2	H7	114.787	Ga1	Ga2	H8	114.787
Ga1	H3	Ga2	95.248	Ga1	H4	Ga2	95.248
Ga2	Ga1	H3	42.376	Ga2	Ga1	H4	42.376
Ga2	Ga1	H5	114.787	Ga2	Ga1	H6	114.787
H3	Ga1	H4	84.752	H3	Ga1	H5	108.042
H3	Ga1	H6	108.042	H3	Ga2	H4	84.752
H3	Ga2	H7	108.042	H3	Ga2	H8	108.042
H4	Ga1	H5	108.042	H4	Ga1	H6	108.042
H4	Ga2	H7	108.042	H4	Ga2	H8	108.042
H5	Ga1	H6	130.427	H7	Ga2	H8	130.427

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/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	0.150
2	Ga	0.150
3	H	-0.047
4	H	-0.047
5	H	-0.051
6	H	-0.051
7	H	-0.051
8	H	-0.051

<r²>	154.811
(<r²>)^1/2	12.442

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)