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	hartrees
Energy at 0K	-3846.172903
Energy at 298.15K	-3846.180493
HF Energy	-3845.927090
Nuclear repulsion energy	299.960586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2068	1926	0.00
2	A_g	1617	1507	0.00
3	A_g	753	702	0.00
4	A_g	244	228	0.00
5	A_u	479	446	0.00
6	B_1g	2069	1927	0.00
7	B_1g	503	469	0.00
8	B_1u	1397	1301	230.06
9	B_1u	679	632	162.33
10	B_2g	1464	1364	0.00
11	B_2g	467	435	0.00
12	B_2u	2074	1932	334.82
13	B_2u	821	765	156.83
14	B_2u	240	223	6.64
15	B_3g	817	761	0.00
16	B_3u	2062	1921	134.43
17	B_3u	1495	1392	1129.98
18	B_3u	695	647	516.24

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.281	0.000	0.000
Ga2	-1.281	0.000	0.000
H3	0.000	0.000	1.168
H4	0.000	0.000	-1.168
H5	1.936	1.410	0.000
H6	1.936	-1.410	0.000
H7	-1.936	1.410	0.000
H8	-1.936	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5614	1.7336	1.7336	1.5547	1.5547	3.5124	3.5124
Ga2	2.5614		1.7336	1.7336	3.5124	3.5124	1.5547	1.5547
H3	1.7336	1.7336		2.3367	2.6649	2.6649	2.6649	2.6649
H4	1.7336	1.7336	2.3367		2.6649	2.6649	2.6649	2.6649
H5	1.5547	3.5124	2.6649	2.6649		2.8193	3.8727	4.7903
H6	1.5547	3.5124	2.6649	2.6649	2.8193		4.7903	3.8727
H7	3.5124	1.5547	2.6649	2.6649	3.8727	4.7903		2.8193
H8	3.5124	1.5547	2.6649	2.6649	4.7903	3.8727	2.8193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.373	Ga1	Ga2	H4	42.373
Ga1	Ga2	H7	114.944	Ga1	Ga2	H8	114.944
Ga1	H3	Ga2	95.253	Ga1	H4	Ga2	95.253
Ga2	Ga1	H3	42.373	Ga2	Ga1	H4	42.373
Ga2	Ga1	H5	114.944	Ga2	Ga1	H6	114.944
H3	Ga1	H4	84.747	H3	Ga1	H5	108.153
H3	Ga1	H6	108.153	H3	Ga2	H4	84.747
H3	Ga2	H7	108.153	H3	Ga2	H8	108.153
H4	Ga1	H5	108.153	H4	Ga1	H6	108.153
H4	Ga2	H7	108.153	H4	Ga2	H8	108.153
H5	Ga1	H6	130.113	H7	Ga2	H8	130.113

All results from a given calculation for Ga₂H₆ (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)