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	hartrees
Energy at 0K	-873.298425
Energy at 298.15K	-873.305906
HF Energy	-873.298425
Nuclear repulsion energy	191.747276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2216	2123	137.68
2	A₁	2203	2111	8.15
3	A₁	2185	2094	64.07
4	A₁	942	903	66.28
5	A₁	915	877	0.01
6	A₁	874	838	164.38
7	A₁	559	536	4.75
8	A₁	384	368	0.43
9	A₁	95	91	1.19
10	A₂	2214	2122	0.00
11	A₂	933	894	0.00
12	A₂	703	673	0.00
13	A₂	411	394	0.00
14	A₂	64	61	0.00
15	B₁	2219	2126	220.35
16	B₁	2197	2105	18.34
17	B₁	938	899	63.58
18	B₁	587	563	8.33
19	B₁	306	293	15.56
20	B₁	83	80	0.03
21	B₂	2214	2122	57.49
22	B₂	2198	2106	110.68
23	B₂	935	896	31.80
24	B₂	861	825	284.69
25	B₂	706	677	263.14
26	B₂	462	443	4.34
27	B₂	428	410	16.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.900
Si2	0.000	1.944	-0.423
Si3	0.000	-1.944	-0.423
H4	1.213	0.000	1.783
H5	-1.213	0.000	1.783
H6	0.000	3.171	0.434
H7	0.000	-3.171	0.434
H8	1.216	1.968	-1.297
H9	-1.216	1.968	-1.297
H10	-1.216	-1.968	-1.297
H11	1.216	-1.968	-1.297

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3513	2.3513	1.5003	1.5003	3.2053	3.2053	3.1909	3.1909	3.1909	3.1909
Si2	2.3513		3.8870	3.1806	3.1806	1.4976	5.1861	1.4976	1.4976	4.1888	4.1888
Si3	2.3513	3.8870		3.1806	3.1806	5.1861	1.4976	4.1888	4.1888	1.4976	1.4976
H4	1.5003	3.1806	3.1806		2.4259	3.6533	3.6533	3.6557	4.3889	4.3889	3.6557
H5	1.5003	3.1806	3.1806	2.4259		3.6533	3.6533	4.3889	3.6557	3.6557	4.3889
H6	3.2053	1.4976	5.1861	3.6533	3.6533		6.3425	2.4339	2.4339	5.5582	5.5582
H7	3.2053	5.1861	1.4976	3.6533	3.6533	6.3425		5.5582	5.5582	2.4339	2.4339
H8	3.1909	1.4976	4.1888	3.6557	4.3889	2.4339	5.5582		2.4315	4.6273	3.9369
H9	3.1909	1.4976	4.1888	4.3889	3.6557	2.4339	5.5582	2.4315		3.9369	4.6273
H10	3.1909	4.1888	1.4976	4.3889	3.6557	5.5582	2.4339	4.6273	3.9369		2.4315
H11	3.1909	4.1888	1.4976	3.6557	4.3889	5.5582	2.4339	3.9369	4.6273	2.4315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.811	S1	S2	H8	110.017
S1	S2	H9	110.017	S1	S3	H7	110.811
S1	S3	H10	110.017	S1	S3	H11	110.017
S2	S1	S3	111.495	S2	S1	H4	109.344
S2	S1	H5	109.344	S3	S1	H4	109.344
S3	S1	H5	109.344	H4	S1	H5	107.897
H6	S2	H8	108.700	H6	S2	H9	108.700
H7	S3	H10	108.700	H7	S3	H11	108.700
H8	S2	H9	108.544	H10	S3	H11	108.544

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: mPW1PW91/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	0.004
2	Si	0.104
3	Si	0.104
4	H	-0.019
5	H	-0.019
6	H	-0.026
7	H	-0.026
8	H	-0.030
9	H	-0.030
10	H	-0.030
11	H	-0.030

<r²>	208.955
(<r²>)^1/2	14.455

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)