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	hartrees
Energy at 0K	-3846.634415
Energy at 298.15K	-3846.641835
HF Energy	-3846.412581
Nuclear repulsion energy	297.805969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2071	1958	0.00
2	A_g	1592	1505	0.00
3	A_g	711	672	0.00
4	A_g	239	226	0.00
5	A_u	461	436	0.00
6	B_1g	2066	1954	0.00
7	B_1g	471	445	0.00
8	B_1u	1345	1271	252.07
9	B_1u	650	615	169.55
10	B_2g	1392	1316	0.00
11	B_2g	440	416	0.00
12	B_2u	2071	1959	370.11
13	B_2u	810	766	161.18
14	B_2u	215	203	8.82
15	B_3g	788	745	0.00
16	B_3u	2065	1952	125.56
17	B_3u	1444	1366	1127.67
18	B_3u	660	624	519.92

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.290	0.000	0.000
Ga2	-1.290	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.957	1.417	0.000
H6	1.957	-1.417	0.000
H7	-1.957	1.417	0.000
H8	-1.957	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5794	1.7464	1.7464	1.5665	1.5665	3.5425	3.5425
Ga2	2.5794		1.7464	1.7464	3.5425	3.5425	1.5665	1.5665
H3	1.7464	1.7464		2.3551	2.6879	2.6879	2.6879	2.6879
H4	1.7464	1.7464	2.3551		2.6879	2.6879	2.6879	2.6879
H5	1.5665	3.5425	2.6879	2.6879		2.8345	3.9138	4.8324
H6	1.5665	3.5425	2.6879	2.6879	2.8345		4.8324	3.9138
H7	3.5425	1.5665	2.6879	2.6879	3.9138	4.8324		2.8345
H8	3.5425	1.5665	2.6879	2.6879	4.8324	3.9138	2.8345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.397	Ga1	Ga2	H4	42.397
Ga1	Ga2	H7	115.210	Ga1	Ga2	H8	115.210
Ga1	H3	Ga2	95.205	Ga1	H4	Ga2	95.205
Ga2	Ga1	H3	42.397	Ga2	Ga1	H4	42.397
Ga2	Ga1	H5	115.210	Ga2	Ga1	H6	115.210
H3	Ga1	H4	84.795	H3	Ga1	H5	108.334
H3	Ga1	H6	108.334	H3	Ga2	H4	84.795
H3	Ga2	H7	108.334	H3	Ga2	H8	108.334
H4	Ga1	H5	108.334	H4	Ga1	H6	108.334
H4	Ga2	H7	108.334	H4	Ga2	H8	108.334
H5	Ga1	H6	129.579	H7	Ga2	H8	129.579

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)