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	hartrees
Energy at 0K	-3846.112534
Energy at 298.15K	-3846.120053
HF Energy	-3845.927371
Nuclear repulsion energy	296.831169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2081	1937	0.00
2	A_g	1609	1497	0.00
3	A_g	744	693	0.00
4	A_g	240	223	0.00
5	A_u	465	433	0.00
6	B_1g	2081	1936	0.00
7	B_1g	489	455	0.00
8	B_1u	1386	1290	243.12
9	B_1u	665	619	169.84
10	B_2g	1449	1348	0.00
11	B_2g	455	424	0.00
12	B_2u	2086	1941	354.82
13	B_2u	811	755	162.87
14	B_2u	233	217	6.91
15	B_3g	799	743	0.00
16	B_3u	2076	1931	137.87
17	B_3u	1492	1389	1182.07
18	B_3u	688	640	530.17

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.296	0.000	0.000
Ga2	-1.296	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
H5	1.955	1.422	0.000
H6	1.955	-1.422	0.000
H7	-1.955	1.422	0.000
H8	-1.955	-1.422	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5915	1.7471	1.7471	1.5669	1.5669	3.5477	3.5477
Ga2	2.5915		1.7471	1.7471	3.5477	3.5477	1.5669	1.5669
H3	1.7471	1.7471		2.3439	2.6861	2.6861	2.6861	2.6861
H4	1.7471	1.7471	2.3439		2.6861	2.6861	2.6861	2.6861
H5	1.5669	3.5477	2.6861	2.6861		2.8433	3.9093	4.8339
H6	1.5669	3.5477	2.6861	2.6861	2.8433		4.8339	3.9093
H7	3.5477	1.5669	2.6861	2.6861	3.9093	4.8339		2.8433
H8	3.5477	1.5669	2.6861	2.6861	4.8339	3.9093	2.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.129	Ga1	Ga2	H4	42.129
Ga1	Ga2	H7	114.866	Ga1	Ga2	H8	114.866
Ga1	H3	Ga2	95.742	Ga1	H4	Ga2	95.742
Ga2	Ga1	H3	42.129	Ga2	Ga1	H4	42.129
Ga2	Ga1	H5	114.866	Ga2	Ga1	H6	114.866
H3	Ga1	H4	84.258	H3	Ga1	H5	108.171
H3	Ga1	H6	108.171	H3	Ga2	H4	84.258
H3	Ga2	H7	108.171	H3	Ga2	H8	108.171
H4	Ga1	H5	108.171	H4	Ga1	H6	108.171
H4	Ga2	H7	108.171	H4	Ga2	H8	108.171
H5	Ga1	H6	130.267	H7	Ga2	H8	130.267

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)