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	hartrees
Energy at 0K	-3853.390895
Energy at 298.15K	-3853.398264
HF Energy	-3853.390895
Nuclear repulsion energy	294.341470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1999	1926	0.00
2	A_g	1504	1449	0.00
3	A_g	733	706	0.00
4	A_g	228	220	0.00
5	A_u	455	439	0.00
6	B_1g	2009	1935	0.00
7	B_1g	483	466	0.00
8	B_1u	1245	1200	249.59
9	B_1u	647	623	122.90
10	B_2g	1295	1248	0.00
11	B_2g	395	380	0.00
12	B_2u	2016	1942	377.23
13	B_2u	781	752	138.87
14	B_2u	225	217	5.52
15	B_3g	764	736	0.00
16	B_3u	1994	1921	126.75
17	B_3u	1329	1281	1023.34
18	B_3u	673	648	548.76

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	1.175
H4	0.000	0.000	-1.175
H5	1.964	1.412	0.000
H6	1.964	-1.412	0.000
H7	-1.964	1.412	0.000
H8	-1.964	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6235	1.7612	1.7612	1.5553	1.5553	3.5674	3.5674
Ga2	2.6235		1.7612	1.7612	3.5674	3.5674	1.5553	1.5553
H3	1.7612	1.7612		2.3504	2.6895	2.6895	2.6895	2.6895
H4	1.7612	1.7612	2.3504		2.6895	2.6895	2.6895	2.6895
H5	1.5553	3.5674	2.6895	2.6895		2.8235	3.9289	4.8382
H6	1.5553	3.5674	2.6895	2.6895	2.8235		4.8382	3.9289
H7	3.5674	1.5553	2.6895	2.6895	3.9289	4.8382		2.8235
H8	3.5674	1.5553	2.6895	2.6895	4.8382	3.9289	2.8235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.857	Ga1	Ga2	H4	41.857
Ga1	Ga2	H7	114.813	Ga1	Ga2	H8	114.813
Ga1	H3	Ga2	96.285	Ga1	H4	Ga2	96.285
Ga2	Ga1	H3	41.857	Ga2	Ga1	H4	41.857
Ga2	Ga1	H5	114.813	Ga2	Ga1	H6	114.813
H3	Ga1	H4	83.715	H3	Ga1	H5	108.214
H3	Ga1	H6	108.214	H3	Ga2	H4	83.715
H3	Ga2	H7	108.214	H3	Ga2	H8	108.214
H4	Ga1	H5	108.214	H4	Ga1	H6	108.214
H4	Ga2	H7	108.214	H4	Ga2	H8	108.214
H5	Ga1	H6	130.375	H7	Ga2	H8	130.375

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYPultrafine/TZVP

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	0.387
2	Ga	0.387
3	H	-0.150
4	H	-0.150
5	H	-0.119
6	H	-0.119
7	H	-0.119
8	H	-0.119

<r²>	157.245
(<r²>)^1/2	12.540

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)