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	hartrees
Energy at 0K	-873.310317
Energy at 298.15K	-873.318341
HF Energy	-873.310317
Nuclear repulsion energy	193.156830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2219	2219	91.51
2	A₁	2214	2214	65.44
3	A₁	2186	2186	64.80
4	A₁	959	959	67.56
5	A₁	935	935	2.10
6	A₁	897	897	184.78
7	A₁	570	570	6.02
8	A₁	392	392	0.64
9	A₁	97	97	1.37
10	A₂	2214	2214	0.00
11	A₂	952	952	0.00
12	A₂	715	715	0.00
13	A₂	425	425	0.00
14	A₂	44	44	0.00
15	B₁	2219	2219	230.11
16	B₁	2190	2190	31.59
17	B₁	957	957	71.46
18	B₁	600	600	9.94
19	B₁	311	311	19.77
20	B₁	83	83	0.01
21	B₂	2217	2217	120.86
22	B₂	2210	2210	54.59
23	B₂	952	952	35.99
24	B₂	886	886	302.66
25	B₂	725	725	275.66
26	B₂	468	468	5.53
27	B₂	432	432	16.89

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.904
Si2	0.000	1.926	-0.424
Si3	0.000	-1.926	-0.424
H4	1.200	0.000	1.778
H5	-1.200	0.000	1.778
H6	0.000	3.150	0.410
H7	0.000	-3.150	0.410
H8	1.202	1.941	-1.290
H9	-1.202	1.941	-1.290
H10	-1.202	-1.941	-1.290
H11	1.202	-1.941	-1.290

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3394	2.3394	1.4845	1.4845	3.1890	3.1890	3.1670	3.1670	3.1670	3.1670
Si2	2.3394		3.8513	3.1619	3.1619	1.4815	5.1440	1.4820	1.4820	4.1408	4.1408
Si3	2.3394	3.8513		3.1619	3.1619	5.1440	1.4815	4.1408	4.1408	1.4820	1.4820
H4	1.4845	3.1619	3.1619		2.4006	3.6384	3.6384	3.6308	4.3537	4.3537	3.6308
H5	1.4845	3.1619	3.1619	2.4006		3.6384	3.6384	4.3537	3.6308	3.6308	4.3537
H6	3.1890	1.4815	5.1440	3.6384	3.6384		6.3007	2.4079	2.4079	5.5006	5.5006
H7	3.1890	5.1440	1.4815	3.6384	3.6384	6.3007		5.5006	5.5006	2.4079	2.4079
H8	3.1670	1.4820	4.1408	3.6308	4.3537	2.4079	5.5006		2.4044	4.5662	3.8819
H9	3.1670	1.4820	4.1408	4.3537	3.6308	2.4079	5.5006	2.4044		3.8819	4.5662
H10	3.1670	4.1408	1.4820	4.3537	3.6308	5.5006	2.4079	4.5662	3.8819		2.4044
H11	3.1670	4.1408	1.4820	3.6308	4.3537	5.5006	2.4079	3.8819	4.5662	2.4044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.157	S1	S2	H8	109.907
S1	S2	H9	109.907	S1	S3	H7	111.157
S1	S3	H10	109.907	S1	S3	H11	109.907
S2	S1	S3	110.798	S2	S1	H4	109.522
S2	S1	H5	109.522	S3	S1	H4	109.522
S3	S1	H5	109.522	H4	S1	H5	107.904
H6	S2	H8	108.688	H6	S2	H9	108.688
H7	S3	H10	108.688	H7	S3	H11	108.688
H8	S2	H9	108.434	H10	S3	H11	108.434

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: wB97X-D/aug-cc-pV(T+d)Z

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	0.238
2	Si	0.449
3	Si	0.449
4	H	-0.108
5	H	-0.108
6	H	-0.185
7	H	-0.185
8	H	-0.138
9	H	-0.138
10	H	-0.138
11	H	-0.138

<r²>	206.052
(<r²>)^1/2	14.355

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: wB97X-D/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)