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	hartrees
Energy at 0K	-872.792304
Energy at 298.15K	-872.799463
HF Energy	-872.792304
Nuclear repulsion energy	190.871818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2147	2147	123.66
2	A₁	2132	2132	7.40
3	A₁	2116	2116	56.24
4	A₁	901	901	56.99
5	A₁	876	876	0.99
6	A₁	829	829	145.12
7	A₁	532	532	3.95
8	A₁	371	371	0.47
9	A₁	86	86	1.12
10	A₂	2146	2146	0.00
11	A₂	894	894	0.00
12	A₂	672	672	0.00
13	A₂	392	392	0.00
14	A₂	24	24	0.00
15	B₁	2152	2152	205.49
16	B₁	2130	2130	12.65
17	B₁	901	901	53.18
18	B₁	561	561	7.83
19	B₁	292	292	13.61
20	B₁	68	68	0.05
21	B₂	2146	2146	53.70
22	B₂	2128	2128	98.48
23	B₂	897	897	28.63
24	B₂	816	816	253.66
25	B₂	667	667	260.68
26	B₂	445	445	3.95
27	B₂	406	406	15.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.908
Si2	0.000	1.948	-0.426
Si3	0.000	-1.948	-0.426
H4	1.220	0.000	1.798
H5	-1.220	0.000	1.798
H6	0.000	3.191	0.428
H7	0.000	-3.191	0.428
H8	1.224	1.970	-1.307
H9	-1.224	1.970	-1.307
H10	-1.224	-1.970	-1.307
H11	1.224	-1.970	-1.307

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3608	2.3608	1.5107	1.5107	3.2268	3.2268	3.2067	3.2067	3.2067	3.2067
Si2	2.3608		3.8963	3.1985	3.1985	1.5082	5.2097	1.5081	1.5081	4.1981	4.1981
Si3	2.3608	3.8963		3.1985	3.1985	5.2097	1.5082	4.1981	4.1981	1.5081	1.5081
H4	1.5107	3.1985	3.1985		2.4406	3.6808	3.6808	3.6775	4.4154	4.4154	3.6775
H5	1.5107	3.1985	3.1985	2.4406		3.6808	3.6808	4.4154	3.6775	3.6775	4.4154
H6	3.2268	1.5082	5.2097	3.6808	3.6808		6.3821	2.4497	2.4497	5.5807	5.5807
H7	3.2268	5.2097	1.5082	3.6808	3.6808	6.3821		5.5807	5.5807	2.4497	2.4497
H8	3.2067	1.5081	4.1981	3.6775	4.4154	2.4497	5.5807		2.4471	4.6377	3.9396
H9	3.2067	1.5081	4.1981	4.4154	3.6775	2.4497	5.5807	2.4471		3.9396	4.6377
H10	3.2067	4.1981	1.5081	4.4154	3.6775	5.5807	2.4497	4.6377	3.9396		2.4471
H11	3.2067	4.1981	1.5081	3.6775	4.4154	5.5807	2.4497	3.9396	4.6377	2.4471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.106	S1	S2	H8	109.997
S1	S2	H9	109.997	S1	S3	H7	111.106
S1	S3	H10	109.997	S1	S3	H11	109.997
S2	S1	S3	111.217	S2	S1	H4	109.448
S2	S1	H5	109.448	S3	S1	H4	109.448
S3	S1	H5	109.448	H4	S1	H5	107.762
H6	S2	H8	108.616	H6	S2	H9	108.616
H7	S3	H10	108.616	H7	S3	H11	108.616
H8	S2	H9	108.446	H10	S3	H11	108.446

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBEPBE/daug-cc-pVDZ

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	-1.937
2	Si	-1.641
3	Si	-1.641
4	H	0.747
5	H	0.747
6	H	0.531
7	H	0.531
8	H	0.666
9	H	0.666
10	H	0.666
11	H	0.666

<r²>	210.595
(<r²>)^1/2	14.512

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)