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	hartrees
Energy at 0K	-3852.388597
Energy at 298.15K	-3852.396008
HF Energy	-3852.300009
Nuclear repulsion energy	295.790667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2032	1954	0.00
2	A_g	1535	1476	0.00
3	A_g	738	709	0.00
4	A_g	234	225	0.00
5	A_u	461	444	0.00
6	B_1g	2035	1957	0.00
7	B_1g	482	464	0.00
8	B_1u	1259	1211	233.82
9	B_1u	659	633	132.07
10	B_2g	1319	1268	0.00
11	B_2g	406	390	0.00
12	B_2u	2040	1962	356.81
13	B_2u	785	755	139.28
14	B_2u	222	213	6.62
15	B_3g	765	736	0.00
16	B_3u	2027	1949	122.76
17	B_3u	1358	1306	1058.89
18	B_3u	675	649	561.02

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.304	0.000	0.000
Ga2	-1.304	0.000	0.000
H3	0.000	0.000	1.171
H4	0.000	0.000	-1.171
H5	1.953	1.410	0.000
H6	1.953	-1.410	0.000
H7	-1.953	1.410	0.000
H8	-1.953	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6089	1.7532	1.7532	1.5519	1.5519	3.5494	3.5494
Ga2	2.6089		1.7532	1.7532	3.5494	3.5494	1.5519	1.5519
H3	1.7532	1.7532		2.3428	2.6784	2.6784	2.6784	2.6784
H4	1.7532	1.7532	2.3428		2.6784	2.6784	2.6784	2.6784
H5	1.5519	3.5494	2.6784	2.6784		2.8199	3.9057	4.8173
H6	1.5519	3.5494	2.6784	2.6784	2.8199		4.8173	3.9057
H7	3.5494	1.5519	2.6784	2.6784	3.9057	4.8173		2.8199
H8	3.5494	1.5519	2.6784	2.6784	4.8173	3.9057	2.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.924	Ga1	Ga2	H4	41.924
Ga1	Ga2	H7	114.696	Ga1	Ga2	H8	114.696
Ga1	H3	Ga2	96.153	Ga1	H4	Ga2	96.153
Ga2	Ga1	H3	41.924	Ga2	Ga1	H4	41.924
Ga2	Ga1	H5	114.696	Ga2	Ga1	H6	114.696
H3	Ga1	H4	83.847	H3	Ga1	H5	108.111
H3	Ga1	H6	108.111	H3	Ga2	H4	83.847
H3	Ga2	H7	108.111	H3	Ga2	H8	108.111
H4	Ga1	H5	108.111	H4	Ga1	H6	108.111
H4	Ga2	H7	108.111	H4	Ga2	H8	108.111
H5	Ga1	H6	130.608	H7	Ga2	H8	130.608

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)