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	hartrees
Energy at 0K	-3834.869984
Energy at 298.15K	-3834.877157
HF Energy	-3834.869984
Nuclear repulsion energy	293.246090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1956	1882	0.00
2	A_g	1482	1426	0.00
3	A_g	716	689	0.00
4	A_g	226	217	0.00
5	A_u	428	411	0.00
6	B_1g	1964	1889	0.00
7	B_1g	468	450	0.00
8	B_1u	1260	1213	199.52
9	B_1u	616	593	96.15
10	B_2g	1278	1229	0.00
11	B_2g	362	348	0.00
12	B_2u	1971	1896	323.59
13	B_2u	759	731	116.98
14	B_2u	191	184	4.30
15	B_3g	744	716	0.00
16	B_3u	1951	1877	117.98
17	B_3u	1311	1261	1052.90
18	B_3u	663	638	453.41

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.312	0.000	0.000
Ga2	-1.312	0.000	0.000
H3	0.000	0.000	1.207
H4	0.000	0.000	-1.207
H5	1.979	1.425	0.000
H6	1.979	-1.425	0.000
H7	-1.979	1.425	0.000
H8	-1.979	-1.425	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6240	1.7826	1.7826	1.5735	1.5735	3.5861	3.5861
Ga2	2.6240		1.7826	1.7826	3.5861	3.5861	1.5735	1.5735
H3	1.7826	1.7826		2.4134	2.7208	2.7208	2.7208	2.7208
H4	1.7826	1.7826	2.4134		2.7208	2.7208	2.7208	2.7208
H5	1.5735	3.5861	2.7208	2.7208		2.8506	3.9573	4.8772
H6	1.5735	3.5861	2.7208	2.7208	2.8506		4.8772	3.9573
H7	3.5861	1.5735	2.7208	2.7208	3.9573	4.8772		2.8506
H8	3.5861	1.5735	2.7208	2.7208	4.8772	3.9573	2.8506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.607	Ga1	Ga2	H4	42.607
Ga1	Ga2	H7	115.068	Ga1	Ga2	H8	115.068
Ga1	H3	Ga2	94.786	Ga1	H4	Ga2	94.786
Ga2	Ga1	H3	42.607	Ga2	Ga1	H4	42.607
Ga2	Ga1	H5	115.068	Ga2	Ga1	H6	115.068
H3	Ga1	H4	85.214	H3	Ga1	H5	108.170
H3	Ga1	H6	108.170	H3	Ga2	H4	85.214
H3	Ga2	H7	108.170	H3	Ga2	H8	108.170
H4	Ga1	H5	108.170	H4	Ga1	H6	108.170
H4	Ga2	H7	108.170	H4	Ga2	H8	108.170
H5	Ga1	H6	129.865	H7	Ga2	H8	129.865

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	Ga	-0.074
2	Ga	-0.074
3	H	-0.011
4	H	-0.011
5	H	0.042
6	H	0.042
7	H	0.042
8	H	0.042

<r²>	157.881
(<r²>)^1/2	12.565

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)