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	hartrees
Energy at 0K	-3831.235003
Energy at 298.15K	-3831.242425
HF Energy	-3831.130685
Nuclear repulsion energy	289.991689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1891	1806	0.00
2	A_g	1498	1430	0.00
3	A_g	804	768	0.00
4	A_g	217	207	0.00
5	A_u	446	426	0.00
6	B_1g	1890	1805	0.00
7	B_1g	474	452	0.00
8	B_1u	1195	1141	373.86
9	B_1u	639	610	202.65
10	B_2g	1344	1283	0.00
11	B_2g	376	359	0.00
12	B_2u	1896	1810	416.56
13	B_2u	887	847	312.23
14	B_2u	247	235	6.33
15	B_3g	757	723	0.00
16	B_3u	1884	1799	109.30
17	B_3u	1419	1355	1273.58
18	B_3u	752	718	742.91

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.333	0.000	0.000
Ga2	-1.333	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	2.026	1.414	0.000
H6	2.026	-1.414	0.000
H7	-2.026	1.414	0.000
H8	-2.026	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6653	1.7786	1.7786	1.5747	1.5747	3.6438	3.6438
Ga2	2.6653		1.7786	1.7786	3.6438	3.6438	1.5747	1.5747
H3	1.7786	1.7786		2.3559	2.7368	2.7368	2.7368	2.7368
H4	1.7786	1.7786	2.3559		2.7368	2.7368	2.7368	2.7368
H5	1.5747	3.6438	2.7368	2.7368		2.8280	4.0513	4.9407
H6	1.5747	3.6438	2.7368	2.7368	2.8280		4.9407	4.0513
H7	3.6438	1.5747	2.7368	2.7368	4.0513	4.9407		2.8280
H8	3.6438	1.5747	2.7368	2.7368	4.9407	4.0513	2.8280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.474	Ga1	Ga2	H4	41.474
Ga1	Ga2	H7	116.109	Ga1	Ga2	H8	116.109
Ga1	H3	Ga2	97.053	Ga1	H4	Ga2	97.053
Ga2	Ga1	H3	41.474	Ga2	Ga1	H4	41.474
Ga2	Ga1	H5	116.109	Ga2	Ga1	H6	116.109
H3	Ga1	H4	82.947	H3	Ga1	H5	109.253
H3	Ga1	H6	109.253	H3	Ga2	H4	82.947
H3	Ga2	H7	109.253	H3	Ga2	H8	109.253
H4	Ga1	H5	109.253	H4	Ga1	H6	109.253
H4	Ga2	H7	109.253	H4	Ga2	H8	109.253
H5	Ga1	H6	127.782	H7	Ga2	H8	127.782

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)