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	hartrees
Energy at 0K	-7.365781
Energy at 298.15K	-7.373281
HF Energy	-7.365781
Nuclear repulsion energy	13.795726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2039	1835	0.00
2	A_g	1535	1382	0.00
3	A_g	781	703	0.00
4	A_g	235	211	0.00
5	A_u	470	423	0.00
6	B_1g	2031	1828	0.00
7	B_1g	488	439	0.00
8	B_1u	1178	1060	498.92
9	B_1u	693	624	244.54
10	B_2g	1299	1169	0.00
11	B_2g	365	329	0.00
12	B_2u	2035	1831	373.70
13	B_2u	934	840	359.36
14	B_2u	252	227	2.96
15	B_3g	850	765	0.00
16	B_3u	2033	1830	99.37
17	B_3u	1413	1272	1572.99
18	B_3u	716	644	910.84

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.350	0.000	0.000
Ga2	-1.350	0.000	0.000
H3	0.000	0.000	1.158
H4	0.000	0.000	-1.158
H5	2.004	1.415	0.000
H6	2.004	-1.415	0.000
H7	-2.004	1.415	0.000
H8	-2.004	-1.415	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6996	1.7785	1.7785	1.5589	1.5589	3.6398	3.6398
Ga2	2.6996		1.7785	1.7785	3.6398	3.6398	1.5589	1.5589
H3	1.7785	1.7785		2.3162	2.7126	2.7126	2.7126	2.7126
H4	1.7785	1.7785	2.3162		2.7126	2.7126	2.7126	2.7126
H5	1.5589	3.6398	2.7126	2.7126		2.8303	4.0072	4.9059
H6	1.5589	3.6398	2.7126	2.7126	2.8303		4.9059	4.0072
H7	3.6398	1.5589	2.7126	2.7126	4.0072	4.9059		2.8303
H8	3.6398	1.5589	2.7126	2.7126	4.9059	4.0072	2.8303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	40.629	Ga1	Ga2	H4	40.629
Ga1	Ga2	H7	114.797	Ga1	Ga2	H8	114.797
Ga1	H3	Ga2	98.743	Ga1	H4	Ga2	98.743
Ga2	Ga1	H3	40.629	Ga2	Ga1	H4	40.629
Ga2	Ga1	H5	114.797	Ga2	Ga1	H6	114.797
H3	Ga1	H4	81.257	H3	Ga1	H5	108.561
H3	Ga1	H6	108.561	H3	Ga2	H4	81.257
H3	Ga2	H7	108.561	H3	Ga2	H8	108.561
H4	Ga1	H5	108.561	H4	Ga1	H6	108.561
H4	Ga2	H7	108.561	H4	Ga2	H8	108.561
H5	Ga1	H6	130.406	H7	Ga2	H8	130.406

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/LANL2DZ

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	0.617
2	Ga	0.617
3	H	-0.311
4	H	-0.311
5	H	-0.153
6	H	-0.153
7	H	-0.153
8	H	-0.153

<r²>	55.645
(<r²>)^1/2	7.460

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)