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	hartrees
Energy at 0K	-873.331704
Energy at 298.15K	-873.339219
HF Energy	-873.331704
Nuclear repulsion energy	190.905007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2196	2196	152.07
2	A₁	2187	2187	9.41
3	A₁	2167	2167	65.26
4	A₁	945	945	71.12
5	A₁	923	923	0.07
6	A₁	879	879	174.82
7	A₁	559	559	6.08
8	A₁	373	373	0.57
9	A₁	94	94	1.38
10	A₂	2194	2194	0.00
11	A₂	940	940	0.00
12	A₂	705	705	0.00
13	A₂	418	418	0.00
14	A₂	57	57	0.00
15	B₁	2200	2200	245.75
16	B₁	2176	2176	20.31
17	B₁	945	945	68.69
18	B₁	591	591	9.33
19	B₁	315	315	18.51
20	B₁	88	88	0.03
21	B₂	2194	2194	64.85
22	B₂	2182	2182	109.93
23	B₂	941	941	33.22
24	B₂	867	867	297.21
25	B₂	712	712	309.59
26	B₂	453	453	9.34
27	B₂	431	431	13.52

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.898
Si2	0.000	1.961	-0.423
Si3	0.000	-1.961	-0.423
H4	1.209	0.000	1.782
H5	-1.209	0.000	1.782
H6	0.000	3.183	0.440
H7	0.000	-3.183	0.440
H8	1.213	1.993	-1.296
H9	-1.213	1.993	-1.296
H10	-1.213	-1.993	-1.296
H11	1.213	-1.993	-1.296

	Si1	Si2	Si3	H4	H5	H6	H7	H8	H9	H10	H11
Si1		2.3647	2.3647	1.4978	1.4978	3.2155	3.2155	3.2028	3.2028	3.2028	3.2028
Si2	2.3647		3.9229	3.1889	3.1889	1.4952	5.2159	1.4952	1.4952	4.2278	4.2278
Si3	2.3647	3.9229		3.1889	3.1889	5.2159	1.4952	4.2278	4.2278	1.4952	1.4952
H4	1.4978	3.1889	3.1889		2.4187	3.6596	3.6596	3.6666	4.3948	4.3948	3.6666
H5	1.4978	3.1889	3.1889	2.4187		3.6596	3.6596	4.3948	3.6666	3.6666	4.3948
H6	3.2155	1.4952	5.2159	3.6596	3.6596		6.3654	2.4290	2.4290	5.5924	5.5924
H7	3.2155	5.2159	1.4952	3.6596	3.6596	6.3654		5.5924	5.5924	2.4290	2.4290
H8	3.2028	1.4952	4.2278	3.6666	4.3948	2.4290	5.5924		2.4269	4.6671	3.9864
H9	3.2028	1.4952	4.2278	4.3948	3.6666	2.4290	5.5924	2.4269		3.9864	4.6671
H10	3.2028	4.2278	1.4952	4.3948	3.6666	5.5924	2.4290	4.6671	3.9864		2.4269
H11	3.2028	4.2278	1.4952	3.6666	4.3948	5.5924	2.4290	3.9864	4.6671	2.4269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	H6	110.810	S1	S2	H8	110.106
S1	S2	H9	110.106	S1	S3	H7	110.810
S1	S3	H10	110.106	S1	S3	H11	110.106
S2	S1	S3	112.089	S2	S1	H4	109.241
S2	S1	H5	109.241	S3	S1	H4	109.241
S3	S1	H5	109.241	H4	S1	H5	107.688
H6	S2	H8	108.633	H6	S2	H9	108.633
H7	S3	H10	108.633	H7	S3	H11	108.633
H8	S2	H9	108.497	H10	S3	H11	108.497

All results from a given calculation for Si₃H₈ (trisilane)

using model chemistry: B3LYPultrafine/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	-1.827
2	Si	-1.712
3	Si	-1.712
4	H	0.853
5	H	0.853
6	H	0.551
7	H	0.551
8	H	0.611
9	H	0.611
10	H	0.611
11	H	0.611

<r²>	211.851
(<r²>)^1/2	14.555

All results from a given calculation for Si3H8 (trisilane)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for Si₃H₈ (trisilane)