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	hartrees
Energy at 0K	-517.753951
Energy at 298.15K	-517.761482
HF Energy	-517.753951
Nuclear repulsion energy	156.526511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2095	1912	0.00
2	A_g	1569	1432	0.00
3	A_g	800	730	0.00
4	A_g	234	214	0.00
5	A_u	473	431	0.00
6	B_1g	2083	1900	0.00
7	B_1g	497	453	0.00
8	B_1u	1260	1149	477.28
9	B_1u	696	635	216.59
10	B_2g	1325	1209	0.00
11	B_2g	345	315	0.00
12	B_2u	2089	1907	533.85
13	B_2u	893	815	297.73
14	B_2u	242	221	6.56
15	B_3g	829	757	0.00
16	B_3u	2088	1906	131.18
17	B_3u	1413	1289	1493.35
18	B_3u	732	668	846.45

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.328	0.000	0.000
Ga2	-1.328	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.992	1.407	0.000
H6	1.992	-1.407	0.000
H7	-1.992	1.407	0.000
H8	-1.992	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6555	1.7717	1.7717	1.5555	1.5555	3.6054	3.6054
Ga2	2.6555		1.7717	1.7717	3.6054	3.6054	1.5555	1.5555
H3	1.7717	1.7717		2.3461	2.7060	2.7060	2.7060	2.7060
H4	1.7717	1.7717	2.3461		2.7060	2.7060	2.7060	2.7060
H5	1.5555	3.6054	2.7060	2.7060		2.8131	3.9839	4.8770
H6	1.5555	3.6054	2.7060	2.7060	2.8131		4.8770	3.9839
H7	3.6054	1.5555	2.7060	2.7060	3.9839	4.8770		2.8131
H8	3.6054	1.5555	2.7060	2.7060	4.8770	3.9839	2.8131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.460	Ga1	Ga2	H4	41.460
Ga1	Ga2	H7	115.279	Ga1	Ga2	H8	115.279
Ga1	H3	Ga2	97.079	Ga1	H4	Ga2	97.079
Ga2	Ga1	H3	41.460	Ga2	Ga1	H4	41.460
Ga2	Ga1	H5	115.279	Ga2	Ga1	H6	115.279
H3	Ga1	H4	82.921	H3	Ga1	H5	108.664
H3	Ga1	H6	108.664	H3	Ga2	H4	82.921
H3	Ga2	H7	108.664	H3	Ga2	H8	108.664
H4	Ga1	H5	108.664	H4	Ga1	H6	108.664
H4	Ga2	H7	108.664	H4	Ga2	H8	108.664
H5	Ga1	H6	129.443	H7	Ga2	H8	129.443

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/CEP-121G

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	0.625
2	Ga	0.625
3	H	-0.272
4	H	-0.272
5	H	-0.177
6	H	-0.177
7	H	-0.177
8	H	-0.177

<r²>	125.021
(<r²>)^1/2	11.181

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)