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	hartrees
Energy at 0K	-872.791582
Energy at 298.15K	-872.798905
HF Energy	-872.791582
Nuclear repulsion energy	190.950355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2152	2139	123.52
2	A₁	2137	2124	7.34
3	A₁	2121	2108	54.20
4	A₁	905	899	57.37
5	A₁	880	874	0.85
6	A₁	832	827	145.52
7	A₁	536	533	3.83
8	A₁	372	370	0.44
9	A₁	89	88	1.08
10	A₂	2151	2138	0.00
11	A₂	899	893	0.00
12	A₂	677	672	0.00
13	A₂	399	396	0.00
14	A₂	71	71	0.00
15	B₁	2157	2143	200.47
16	B₁	2133	2120	14.01
17	B₁	904	899	53.30
18	B₁	564	561	7.61
19	B₁	297	295	13.93
20	B₁	91	90	0.04
21	B₂	2151	2138	54.29
22	B₂	2134	2121	96.98
23	B₂	900	895	31.27
24	B₂	819	814	249.92
25	B₂	671	667	259.46
26	B₂	445	442	4.29
27	B₂	411	408	14.68

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.913
Si2	0.000	1.943	-0.428
Si3	0.000	-1.943	-0.428
H4	1.221	0.000	1.803
H5	-1.221	0.000	1.803
H6	0.000	3.191	0.419
H7	0.000	-3.191	0.419
H8	1.224	1.959	-1.310
H9	-1.224	1.959	-1.310
H10	-1.224	-1.959	-1.310
H11	1.224	-1.959	-1.310

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3610	2.3610	1.5111	1.5111	3.2292	3.2292	3.2051	3.2051	3.2051	3.2051
Si2	2.3610		3.8866	3.2005	3.2005	1.5084	5.2041	1.5084	1.5084	4.1833	4.1833
Si3	2.3610	3.8866		3.2005	3.2005	5.2041	1.5084	4.1833	4.1833	1.5084	1.5084
H4	1.5111	3.2005	3.2005		2.4426	3.6864	3.6864	3.6771	4.4159	4.4159	3.6771
H5	1.5111	3.2005	3.2005	2.4426		3.6864	3.6864	4.4159	3.6771	3.6771	4.4159
H6	3.2292	1.5084	5.2041	3.6864	3.6864		6.3826	2.4508	2.4508	5.5685	5.5685
H7	3.2292	5.2041	1.5084	3.6864	3.6864	6.3826		5.5685	5.5685	2.4508	2.4508
H8	3.2051	1.5084	4.1833	3.6771	4.4159	2.4508	5.5685		2.4479	4.6191	3.9171
H9	3.2051	1.5084	4.1833	4.4159	3.6771	2.4508	5.5685	2.4479		3.9171	4.6191
H10	3.2051	4.1833	1.5084	4.4159	3.6771	5.5685	2.4508	4.6191	3.9171		2.4479
H11	3.2051	4.1833	1.5084	3.6771	4.4159	5.5685	2.4508	3.9171	4.6191	2.4479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.222	S1	S2	H8	109.888
S1	S2	H9	109.888	S1	S3	H7	111.222
S1	S3	H10	109.888	S1	S3	H11	109.888
S2	S1	S3	110.794	S2	S1	H4	109.537
S2	S1	H5	109.537	S3	S1	H4	109.537
S3	S1	H5	109.537	H4	S1	H5	107.847
H6	S2	H8	108.658	H6	S2	H9	108.658
H7	S3	H10	108.658	H7	S3	H11	108.658
H8	S2	H9	108.467	H10	S3	H11	108.467

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: PBEPBEultrafine/aug-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	-0.840
2	Si	-1.123
3	Si	-1.123
4	H	0.424
5	H	0.424
6	H	0.372
7	H	0.372
8	H	0.374
9	H	0.374
10	H	0.374
11	H	0.374

<r²>	210.123
(<r²>)^1/2	14.496

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)