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	hartrees
Energy at 0K	-3833.754861
Energy at 298.15K	-3833.762093
HF Energy	-3833.754861
Nuclear repulsion energy	297.980406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1839	1822	0.00
2	A_g	1466	1453	0.00
3	A_g	788	781	0.00
4	A_g	205	203	0.00
5	A_u	428	424	0.00
6	B_1g	1843	1826	0.00
7	B_1g	466	462	0.00
8	B_1u	1219	1208	205.69
9	B_1u	607	602	99.12
10	B_2g	1306	1294	0.00
11	B_2g	377	374	0.00
12	B_2u	1849	1832	348.57
13	B_2u	757	750	143.17
14	B_2u	230	228	2.97
15	B_3g	644	638	0.00
16	B_3u	1830	1814	120.07
17	B_3u	1311	1299	824.88
18	B_3u	738	732	503.90

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.288	0.000	0.000
Ga2	-1.288	0.000	0.000
H3	0.000	0.000	1.203
H4	0.000	0.000	-1.203
H5	1.973	1.398	0.000
H6	1.973	-1.398	0.000
H7	-1.973	1.398	0.000
H8	-1.973	-1.398	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5755	1.7624	1.7624	1.5569	1.5569	3.5477	3.5477
Ga2	2.5755		1.7624	1.7624	3.5477	3.5477	1.5569	1.5569
H3	1.7624	1.7624		2.4066	2.7009	2.7009	2.7009	2.7009
H4	1.7624	1.7624	2.4066		2.7009	2.7009	2.7009	2.7009
H5	1.5569	3.5477	2.7009	2.7009		2.7960	3.9459	4.8361
H6	1.5569	3.5477	2.7009	2.7009	2.7960		4.8361	3.9459
H7	3.5477	1.5569	2.7009	2.7009	3.9459	4.8361		2.7960
H8	3.5477	1.5569	2.7009	2.7009	4.8361	3.9459	2.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.058	Ga1	Ga2	H4	43.058
Ga1	Ga2	H7	116.111	Ga1	Ga2	H8	116.111
Ga1	H3	Ga2	93.883	Ga1	H4	Ga2	93.883
Ga2	Ga1	H3	43.058	Ga2	Ga1	H4	43.058
Ga2	Ga1	H5	116.111	Ga2	Ga1	H6	116.111
H3	Ga1	H4	86.117	H3	Ga1	H5	108.758
H3	Ga1	H6	108.758	H3	Ga2	H4	86.117
H3	Ga2	H7	108.758	H3	Ga2	H8	108.758
H4	Ga1	H5	108.758	H4	Ga1	H6	108.758
H4	Ga2	H7	108.758	H4	Ga2	H8	108.758
H5	Ga1	H6	127.777	H7	Ga2	H8	127.777

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBEultrafine/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	0.260
2	Ga	0.260
3	H	-0.162
4	H	-0.162
5	H	-0.049
6	H	-0.049
7	H	-0.049
8	H	-0.049

<r²>	153.821
(<r²>)^1/2	12.402

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)