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	hartrees
Energy at 0K	-873.228361
Energy at 298.15K	-873.236717
HF Energy	-873.228361
Nuclear repulsion energy	193.733377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2225	2225	133.06
2	A₁	2217	2217	2.41
3	A₁	2205	2205	52.09
4	A₁	970	970	61.29
5	A₁	946	946	7.41
6	A₁	909	909	197.67
7	A₁	582	582	8.01
8	A₁	392	392	0.70
9	A₁	100	100	1.66
10	A₂	2224	2224	0.00
11	A₂	967	967	0.00
12	A₂	733	733	0.00
13	A₂	433	433	0.00
14	A₂	119	119	0.00
15	B₁	2230	2230	226.75
16	B₁	2214	2214	4.48
17	B₁	972	972	70.42
18	B₁	613	613	9.06
19	B₁	326	326	17.08
20	B₁	132	132	0.04
21	B₂	2223	2223	54.81
22	B₂	2212	2212	112.46
23	B₂	961	961	38.53
24	B₂	902	902	294.20
25	B₂	742	742	331.98
26	B₂	471	471	9.09
27	B₂	449	449	4.97

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.915
Si2	0.000	1.912	-0.428
Si3	0.000	-1.912	-0.428
H4	1.198	0.000	1.784
H5	-1.198	0.000	1.784
H6	0.000	3.144	0.387
H7	0.000	-3.144	0.387
H8	1.200	1.911	-1.292
H9	-1.200	1.911	-1.292
H10	-1.200	-1.911	-1.292
H11	1.200	-1.911	-1.292

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3361	2.3361	1.4803	1.4803	3.1881	3.1881	3.1555	3.1555	3.1555	3.1555
Si2	2.3361		3.8235	3.1594	3.1594	1.4774	5.1211	1.4781	1.4781	4.0984	4.0984
Si3	2.3361	3.8235		3.1594	3.1594	5.1211	1.4774	4.0984	4.0984	1.4781	1.4781
H4	1.4803	3.1594	3.1594		2.3965	3.6432	3.6432	3.6206	4.3426	4.3426	3.6206
H5	1.4803	3.1594	3.1594	2.3965		3.6432	3.6432	4.3426	3.6206	3.6206	4.3426
H6	3.1881	1.4774	5.1211	3.6432	3.6432		6.2883	2.4035	2.4035	5.4597	5.4597
H7	3.1881	5.1211	1.4774	3.6432	3.6432	6.2883		5.4597	5.4597	2.4035	2.4035
H8	3.1555	1.4781	4.0984	3.6206	4.3426	2.4035	5.4597		2.3991	4.5123	3.8216
H9	3.1555	1.4781	4.0984	4.3426	3.6206	2.4035	5.4597	2.3991		3.8216	4.5123
H10	3.1555	4.0984	1.4781	4.3426	3.6206	5.4597	2.4035	4.5123	3.8216		2.3991
H11	3.1555	4.0984	1.4781	3.6206	4.3426	5.4597	2.4035	3.8216	4.5123	2.3991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	111.453	S1	S2	H8	109.589
S1	S2	H9	109.589	S1	S3	H7	111.453
S1	S3	H10	109.589	S1	S3	H11	109.589
S2	S1	S3	109.842	S2	S1	H4	109.720
S2	S1	H5	109.720	S3	S1	H4	109.720
S3	S1	H5	109.720	H4	S1	H5	108.092
H6	S2	H8	108.829	H6	S2	H9	108.829
H7	S3	H10	108.829	H7	S3	H11	108.829
H8	S2	H9	108.495	H10	S3	H11	108.495

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: M06-2X/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	0.184
2	Si	0.486
3	Si	0.486
4	H	-0.108
5	H	-0.108
6	H	-0.183
7	H	-0.183
8	H	-0.143
9	H	-0.143
10	H	-0.143
11	H	-0.143

<r²>	204.413
(<r²>)^1/2	14.297

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)