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	hartrees
Energy at 0K	-3807.369132
Energy at 298.15K
HF Energy	-3807.369132
Nuclear repulsion energy	294.583295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2222	2056	0.00
2	A_g	1431	1324	0.00
3	A_g	922	853	0.00
4	A_g	475	439	0.00
5	A_u	635	587	0.00
6	B_1g	2022	1870	0.00
7	B_1g	581	537	0.00
8	B_1u	1272	1177	14.86
9	B_1u	762	705	29.10
10	B_2g	842	779	0.00
11	B_2g	752i	696i	0.00
12	B_2u	1992	1843	58.46
13	B_2u	534	494	0.57
14	B_2u	114i	106i	13.77
15	B_3g	563	521	0.00
16	B_3u	2172	2010	158.67
17	B_3u	956	884	1.08
18	B_3u	935i	865i	73.34

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.012	0.000	0.000
Ga2	-1.012	0.000	0.000
H3	0.000	0.000	1.290
H4	0.000	0.000	-1.290
H5	1.696	1.146	0.000
H6	1.696	-1.146	0.000
H7	-1.696	1.146	0.000
H8	-1.696	-1.146	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0242	1.6394	1.6394	1.3341	1.3341	2.9402	2.9402
Ga2	2.0242		1.6394	1.6394	2.9402	2.9402	1.3341	1.3341
H3	1.6394	1.6394		2.5794	2.4190	2.4190	2.4190	2.4190
H4	1.6394	1.6394	2.5794		2.4190	2.4190	2.4190	2.4190
H5	1.3341	2.9402	2.4190	2.4190		2.2912	3.3916	4.0930
H6	1.3341	2.9402	2.4190	2.4190	2.2912		4.0930	3.3916
H7	2.9402	1.3341	2.4190	2.4190	3.3916	4.0930		2.2912
H8	2.9402	1.3341	2.4190	2.4190	4.0930	3.3916	2.2912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	51.878	Ga1	Ga2	H4	51.878
Ga1	Ga2	H7	120.830	Ga1	Ga2	H8	120.830
Ga1	H3	Ga2	76.245	Ga1	H4	Ga2	76.245
Ga2	Ga1	H3	51.878	Ga2	Ga1	H4	51.878
Ga2	Ga1	H5	120.830	Ga2	Ga1	H6	120.830
H3	Ga1	H4	103.755	H3	Ga1	H5	108.445
H3	Ga1	H6	108.445	H3	Ga2	H4	103.755
H3	Ga2	H7	108.445	H3	Ga2	H8	108.445
H4	Ga1	H5	108.445	H4	Ga1	H6	108.445
H4	Ga2	H7	108.445	H4	Ga2	H8	108.445
H5	Ga1	H6	118.339	H7	Ga2	H8	118.339

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/STO-3G

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	0.118
2	Ga	0.118
3	H	-0.006
4	H	-0.006
5	H	-0.056
6	H	-0.056
7	H	-0.056
8	H	-0.056

<r²>	108.430
(<r²>)^1/2	10.413

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)