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	hartrees
Energy at 0K	-3831.635996
Energy at 298.15K	-3831.643381
HF Energy	-3831.445505
Nuclear repulsion energy	295.330821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1985	1882	0.00
2	A_g	1532	1453	0.00
3	A_g	741	703	0.00
4	A_g	239	227	0.00
5	A_u	467	443	0.00
6	B_1g	1990	1886	0.00
7	B_1g	486	461	0.00
8	B_1u	1319	1251	203.39
9	B_1u	651	617	127.06
10	B_2g	1345	1275	0.00
11	B_2g	413	392	0.00
12	B_2u	1995	1891	304.67
13	B_2u	778	738	136.47
14	B_2u	202	192	4.85
15	B_3g	773	733	0.00
16	B_3u	1979	1876	119.74
17	B_3u	1371	1300	1118.57
18	B_3u	692	656	474.21

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.298	0.000	0.000
Ga2	-1.298	0.000	0.000
H3	0.000	0.000	1.218
H4	0.000	0.000	-1.218
H5	1.975	1.428	0.000
H6	1.975	-1.428	0.000
H7	-1.975	1.428	0.000
H8	-1.975	-1.428	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5957	1.7796	1.7796	1.5798	1.5798	3.5703	3.5703
Ga2	2.5957		1.7796	1.7796	3.5703	3.5703	1.5798	1.5798
H3	1.7796	1.7796		2.4351	2.7239	2.7239	2.7239	2.7239
H4	1.7796	1.7796	2.4351		2.7239	2.7239	2.7239	2.7239
H5	1.5798	3.5703	2.7239	2.7239		2.8550	3.9493	4.8732
H6	1.5798	3.5703	2.7239	2.7239	2.8550		4.8732	3.9493
H7	3.5703	1.5798	2.7239	2.7239	3.9493	4.8732		2.8550
H8	3.5703	1.5798	2.7239	2.7239	4.8732	3.9493	2.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.172	Ga1	Ga2	H4	43.172
Ga1	Ga2	H7	115.366	Ga1	Ga2	H8	115.366
Ga1	H3	Ga2	93.656	Ga1	H4	Ga2	93.656
Ga2	Ga1	H3	43.172	Ga2	Ga1	H4	43.172
Ga2	Ga1	H5	115.366	Ga2	Ga1	H6	115.366
H3	Ga1	H4	86.344	H3	Ga1	H5	108.206
H3	Ga1	H6	108.206	H3	Ga2	H4	86.344
H3	Ga2	H7	108.206	H3	Ga2	H8	108.206
H4	Ga1	H5	108.206	H4	Ga1	H6	108.206
H4	Ga2	H7	108.206	H4	Ga2	H8	108.206
H5	Ga1	H6	129.268	H7	Ga2	H8	129.268

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/3-21G*

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)