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	hartrees
Energy at 0K	-1273.632672
Energy at 298.15K	-1273.638221
Nuclear repulsion energy	340.971186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3102	5.13
2	A	3126	3083	0.06
3	A	3016	2974	1.66
4	A	1472	1452	11.68
5	A	1455	1435	16.23
6	A	1341	1323	0.00
7	A	972	959	5.52
8	A	968	955	4.41
9	A	639	630	0.20
10	A	406	401	0.15
11	A	218	215	0.04
12	A	150	148	2.12
13	A	123	121	1.63
14	A	49	48	2.70
15	B	3145	3102	4.76
16	B	3126	3083	4.17
17	B	3015	2974	18.43
18	B	1471	1451	22.50
19	B	1455	1434	12.90
20	B	1344	1325	5.25
21	B	972	959	2.05
22	B	964	951	15.84
23	B	637	629	1.50
24	B	376	370	35.77
25	B	230	227	0.95
26	B	140	138	0.74
27	B	81	80	4.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.158
S2	0.000	1.811	-0.180
S3	0.000	-1.811	-0.180
C4	1.826	1.894	-0.674
C5	-1.826	-1.894	-0.674
H6	1.917	2.775	-1.328
H7	-1.917	-2.775	-1.328
H8	2.452	2.014	0.220
H9	2.096	0.984	-1.228
H10	-2.452	-2.014	0.220
H11	-2.096	-0.984	-1.228

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2511	2.2511	3.2061	3.2061	4.1903	4.1903	3.3084	3.3250	3.3084	3.3250
S2	2.2511		3.6214	1.8940	4.1601	2.4343	5.1017	2.4925	2.4852	4.5605	3.6477
S3	2.2511	3.6214		4.1601	1.8940	5.1017	2.4343	4.5605	3.6477	2.4925	2.4852
C4	3.2061	1.8940	4.1601		5.2627	1.1011	6.0207	1.0978	1.0989	5.8631	4.8969
C5	3.2061	4.1601	1.8940	5.2627		6.0207	1.1011	5.8631	4.8969	1.0978	1.0989
H6	4.1903	2.4343	5.1017	1.1011	6.0207		6.7465	1.8064	1.8026	6.6651	5.5003
H7	4.1903	5.1017	2.4343	6.0207	1.1011	6.7465		6.6651	5.5003	1.8064	1.8026
H8	3.3084	2.4925	4.5605	1.0978	5.8631	1.8064	6.6651		1.8124	6.3456	5.6365
H9	3.3250	2.4852	3.6477	1.0989	4.8969	1.8026	5.5003	1.8124		5.6365	4.6314
H10	3.3084	4.5605	2.4925	5.8631	1.0978	6.6651	1.8064	6.3456	5.6365		1.8124
H11	3.3250	3.6477	2.4852	4.8969	1.0989	5.5003	1.8026	5.6365	4.6314	1.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.983	S1	S3	C5	100.983
S2	S1	S3	107.099	S2	C4	H6	105.661
S2	C4	H8	109.967	S2	C4	H9	109.374
S3	C5	H7	105.661	S3	C5	H10	109.967
S3	C5	H11	109.374	H6	C4	H8	110.465
H6	C4	H9	110.039	H7	C5	H10	110.465
H7	C5	H11	110.039	H8	C4	H9	111.184
H10	C5	H11	111.184

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)

using model chemistry: PBEPBE/6-31G

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	S	-0.070
2	S	0.071
3	S	0.071
4	C	-0.672
5	C	-0.672
6	H	0.206
7	H	0.206
8	H	0.213
9	H	0.216
10	H	0.213
11	H	0.216

	x	y	z
x	10.383	2.810	0.000
y	2.810	17.246	0.000
z	0.000	0.000	9.355

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3SSSCH3 (dimethyl trisulfide)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)