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	hartrees
Energy at 0K	-3850.159864
Energy at 298.15K	-3850.167237
HF Energy	-3849.883558
Nuclear repulsion energy	294.962685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2001	1938	0.00
2	A_g	1527	1479	0.00
3	A_g	735	712	0.00
4	A_g	237	229	0.00
5	A_u	448	434	0.00
6	B_1g	1998	1936	0.00
7	B_1g	468	454	0.00
8	B_1u	1241	1203	262.15
9	B_1u	658	637	148.96
10	B_2g	1315	1274	0.00
11	B_2g	408	395	0.00
12	B_2u	2003	1941	359.30
13	B_2u	783	759	155.59
14	B_2u	214	208	7.73
15	B_3g	747	724	0.00
16	B_3u	1995	1933	124.89
17	B_3u	1366	1323	1123.69
18	B_3u	674	653	581.88

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.308	0.000	0.000
Ga2	-1.308	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
H5	1.959	1.414	0.000
H6	1.959	-1.414	0.000
H7	-1.959	1.414	0.000
H8	-1.959	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6168	1.7565	1.7565	1.5561	1.5561	3.5599	3.5599
Ga2	2.6168		1.7565	1.7565	3.5599	3.5599	1.5561	1.5561
H3	1.7565	1.7565		2.3439	2.6849	2.6849	2.6849	2.6849
H4	1.7565	1.7565	2.3439		2.6849	2.6849	2.6849	2.6849
H5	1.5561	3.5599	2.6849	2.6849		2.8274	3.9175	4.8313
H6	1.5561	3.5599	2.6849	2.6849	2.8274		4.8313	3.9175
H7	3.5599	1.5561	2.6849	2.6849	3.9175	4.8313		2.8274
H8	3.5599	1.5561	2.6849	2.6849	4.8313	3.9175	2.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.852	Ga1	Ga2	H4	41.852
Ga1	Ga2	H7	114.705	Ga1	Ga2	H8	114.705
Ga1	H3	Ga2	96.296	Ga1	H4	Ga2	96.296
Ga2	Ga1	H3	41.852	Ga2	Ga1	H4	41.852
Ga2	Ga1	H5	114.705	Ga2	Ga1	H6	114.705
H3	Ga1	H4	83.704	H3	Ga1	H5	108.139
H3	Ga1	H6	108.139	H3	Ga2	H4	83.704
H3	Ga2	H7	108.139	H3	Ga2	H8	108.139
H4	Ga1	H5	108.139	H4	Ga1	H6	108.139
H4	Ga2	H7	108.139	H4	Ga2	H8	108.139
H5	Ga1	H6	130.590	H7	Ga2	H8	130.590

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: QCISD/aug-cc-pVDZ

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: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)