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	hartrees
Energy at 0K	-1268.262439
Energy at 298.15K	-1268.268931
HF Energy	-1268.262439
Nuclear repulsion energy	367.887035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3003	0.00
2	A	3161	2994	1.38
3	A	3074	2911	1.87
4	A	1548	1467	18.67
5	A	1539	1457	7.53
6	A	1421	1346	0.56
7	A	1028	974	3.19
8	A	1022	968	4.44
9	A	724	685	0.12
10	A	496	470	0.13
11	A	289	274	0.35
12	A	227	215	0.47
13	A	173	164	2.87
14	A	89	85	1.79
15	B	3171	3003	0.40
16	B	3160	2993	0.69
17	B	3074	2911	16.39
18	B	1546	1465	10.03
19	B	1538	1457	20.26
20	B	1424	1349	2.72
21	B	1028	974	9.16
22	B	1019	965	18.22
23	B	722	684	2.13
24	B	470	445	11.80
25	B	287	271	1.01
26	B	228	216	0.90
27	B	118	112	4.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.136
S2	0.000	1.625	-0.131
S3	0.000	-1.625	-0.131
C4	1.720	1.578	-0.732
C5	-1.720	-1.578	-0.732
H6	1.827	2.374	-1.474
H7	-1.827	-2.374	-1.474
H8	2.418	1.740	0.090
H9	1.911	0.612	-1.208
H10	-2.418	-1.740	0.090
H11	-1.911	-0.612	-1.208

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0603	2.0603	2.9895	2.9895	3.9729	3.9729	3.1577	3.0853	3.1577	3.0853
S2	2.0603		3.2500	1.8230	3.6847	2.3882	4.5971	2.4313	2.4161	4.1501	3.1329
S3	2.0603	3.2500		3.6847	1.8230	4.5971	2.3882	4.1501	3.1329	2.4313	2.4161
C4	2.9895	1.8230	3.6847		4.6683	1.0935	5.3618	1.0908	1.0933	5.3679	4.2667
C5	2.9895	3.6847	1.8230	4.6683		5.3618	1.0935	5.3679	4.2667	1.0908	1.0933
H6	3.9729	2.3882	4.5971	1.0935	5.3618		5.9913	1.7880	1.7838	6.1155	4.7913
H7	3.9729	4.5971	2.3882	5.3618	1.0935	5.9913		6.1155	4.7913	1.7880	1.7838
H8	3.1577	2.4313	4.1501	1.0908	5.3679	1.7880	6.1155		1.7936	5.9591	5.0951
H9	3.0853	2.4161	3.1329	1.0933	4.2667	1.7838	4.7913	1.7936		5.0951	4.0125
H10	3.1577	4.1501	2.4313	5.3679	1.0908	6.1155	1.7880	5.9591	5.0951		1.7936
H11	3.0853	3.1329	2.4161	4.2667	1.0933	4.7913	1.7838	5.0951	4.0125	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.499	S1	S3	C5	100.499
S2	S1	S3	104.131	S2	C4	H6	107.281
S2	C4	H8	110.580	S2	C4	H9	109.321
S3	C5	H7	107.281	S3	C5	H10	110.580
S3	C5	H11	109.321	H6	C4	H8	109.879
H6	C4	H9	109.310	H7	C5	H10	109.879
H7	C5	H11	109.310	H8	C4	H9	110.407
H10	C5	H11	110.407

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

using model chemistry: M06-2X/3-21G*

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	-0.045
2	S	0.053
3	S	0.053
4	C	-0.757
5	C	-0.757
6	H	0.238
7	H	0.238
8	H	0.241
9	H	0.247
10	H	0.241
11	H	0.247

	x	y	z
x	9.370	1.918	0.000
y	1.918	12.704	0.000
z	0.000	0.000	8.590

<r²>	261.053
(<r²>)^1/2	16.157

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

using model chemistry: M06-2X/3-21G*

States and conformations

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