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	hartrees
Energy at 0K	-873.391913
Energy at 298.15K	-873.399561
HF Energy	-873.391913
Nuclear repulsion energy	191.821556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2216	2216	152.54
2	A₁	2209	2209	7.71
3	A₁	2186	2186	65.28
4	A₁	957	957	72.31
5	A₁	933	933	1.82
6	A₁	896	896	181.44
7	A₁	566	566	6.12
8	A₁	376	376	0.54
9	A₁	99	99	1.33
10	A₂	2214	2214	0.00
11	A₂	948	948	0.00
12	A₂	709	709	0.00
13	A₂	421	421	0.00
14	A₂	84	84	0.00
15	B₁	2219	2219	235.19
16	B₁	2194	2194	27.17
17	B₁	952	952	73.23
18	B₁	595	595	9.24
19	B₁	318	318	19.00
20	B₁	100	100	0.05
21	B₂	2215	2215	61.89
22	B₂	2204	2204	110.85
23	B₂	949	949	34.24
24	B₂	882	882	323.95
25	B₂	723	723	302.81
26	B₂	456	456	9.68
27	B₂	435	435	12.75

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.891
Si2	0.000	1.956	-0.419
Si3	0.000	-1.956	-0.419
H4	1.200	0.000	1.770
H5	-1.200	0.000	1.770
H6	0.000	3.167	0.439
H7	0.000	-3.167	0.439
H8	1.204	1.994	-1.286
H9	-1.204	1.994	-1.286
H10	-1.204	-1.994	-1.286
H11	1.204	-1.994	-1.286

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3544	2.3544	1.4872	1.4872	3.1988	3.1988	3.1879	3.1879	3.1879	3.1879
Si2	2.3544		3.9127	3.1714	3.1714	1.4839	5.1946	1.4839	1.4839	4.2193	4.2193
Si3	2.3544	3.9127		3.1714	3.1714	5.1946	1.4839	4.2193	4.2193	1.4839	1.4839
H4	1.4872	3.1714	3.1714		2.3991	3.6384	3.6384	3.6489	4.3691	4.3691	3.6489
H5	1.4872	3.1714	3.1714	2.3991		3.6384	3.6384	4.3691	3.6489	3.6489	4.3691
H6	3.1988	1.4839	5.1946	3.6384	3.6384		6.3336	2.4088	2.4088	5.5727	5.5727
H7	3.1988	5.1946	1.4839	3.6384	3.6384	6.3336		5.5727	5.5727	2.4088	2.4088
H8	3.1879	1.4839	4.2193	3.6489	4.3691	2.4088	5.5727		2.4071	4.6574	3.9871
H9	3.1879	1.4839	4.2193	4.3691	3.6489	2.4088	5.5727	2.4071		3.9871	4.6574
H10	3.1879	4.2193	1.4839	4.3691	3.6489	5.5727	2.4088	4.6574	3.9871		2.4071
H11	3.1879	4.2193	1.4839	3.6489	4.3691	5.5727	2.4088	3.9871	4.6574	2.4071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.852	S1	S2	H8	110.241
S1	S2	H9	110.241	S1	S3	H7	110.852
S1	S3	H10	110.241	S1	S3	H11	110.241
S2	S1	S3	112.389	S2	S1	H4	109.200
S2	S1	H5	109.200	S3	S1	H4	109.200
S3	S1	H5	109.200	H4	S1	H5	107.530
H6	S2	H8	108.517	H6	S2	H9	108.517
H7	S3	H10	108.517	H7	S3	H11	108.517
H8	S2	H9	108.405	H10	S3	H11	108.405

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B3LYPultrafine/cc-pCVTZ

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	0.064
2	Si	0.089
3	Si	0.089
4	H	-0.033
5	H	-0.033
6	H	-0.028
7	H	-0.028
8	H	-0.030
9	H	-0.030
10	H	-0.030
11	H	-0.030

<r²>	210.357
(<r²>)^1/2	14.504

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B3LYPultrafine/cc-pCVTZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)