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	hartrees
Energy at 0K	-575.910316
Energy at 298.15K	-575.916438
HF Energy	-575.910316
Nuclear repulsion energy	94.228189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2674	2361	0.00
2	A_1g	1094	966	0.00
3	A_1g	562	496	0.00
4	A_1u	116	102	0.00
5	A_2u	2675	2362	16.71
6	A_2u	1012	893	524.21
7	E_g	2725	2406	0.00
7	E_g	2725	2406	0.00
8	E_g	1127	995	0.00
8	E_g	1127	995	0.00
9	E_g	745	657	0.00
9	E_g	745	657	0.00
10	E_u	2731	2411	38.77
10	E_u	2731	2411	38.70
11	E_u	1133	1000	94.77
11	E_u	1133	1000	94.75
12	E_u	510	450	32.45
12	E_u	510	450	32.44

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.120
Si2	0.000	0.000	-1.120
H3	0.000	1.345	1.640
H4	-1.165	-0.673	1.640
H5	1.165	-0.673	1.640
H6	0.000	-1.345	-1.640
H7	-1.165	0.673	-1.640
H8	1.165	0.673	-1.640

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.2401	1.4423	1.4423	1.4423	3.0707	3.0707	3.0707
Si2	2.2401		3.0707	3.0707	3.0707	1.4423	1.4423	1.4423
H3	1.4423	3.0707		2.3300	2.3300	4.2426	3.5456	3.5456
H4	1.4423	3.0707	2.3300		2.3300	3.5456	3.5456	4.2426
H5	1.4423	3.0707	2.3300	2.3300		3.5456	4.2426	3.5456
H6	3.0707	1.4423	4.2426	3.5456	3.5456		2.3300	2.3300
H7	3.0707	1.4423	3.5456	3.5456	4.2426	2.3300		2.3300
H8	3.0707	1.4423	3.5456	4.2426	3.5456	2.3300	2.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	111.140	Si1	Si2	H7	111.140
Si1	Si2	H8	111.140	Si2	Si1	H3	111.140
Si2	Si1	H4	111.140	Si2	Si1	H5	111.140
H3	Si1	H4	107.752	H3	Si1	H5	107.752
H4	Si1	H5	107.752	H6	Si2	H7	107.752
H6	Si2	H8	107.752	H7	Si2	H8	107.752

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B1B95/STO-3G

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	Si	0.358
2	Si	0.358
3	H	-0.119
4	H	-0.119
5	H	-0.119
6	H	-0.119
7	H	-0.119
8	H	-0.119

	x	y	z
x	2.889	0.000	0.000
y	0.000	2.889	-0.000
z	0.000	-0.000	4.002

<r²>	79.501
(<r²>)^1/2	8.916

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for Si₂H₆ (disilane)