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	hartrees
Energy at 0K	-110.108436
Energy at 298.15K	-110.114023
Nuclear repulsion energy	107.455084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3087	17.47
2	A	3189	3065	0.04
3	A	3074	2955	4.01
4	A	1499	1441	11.28
5	A	1482	1424	17.30
6	A	1380	1326	0.03
7	A	1002	963	7.18
8	A	997	958	6.92
9	A	644	619	0.11
10	A	392	377	0.23
11	A	220	212	0.00
12	A	155	149	1.98
13	A	125	121	1.50
14	A	50	48	3.37
15	B	3211	3087	9.69
16	B	3188	3065	11.44
17	B	3074	2954	33.86
18	B	1498	1440	20.34
19	B	1481	1424	14.94
20	B	1383	1329	5.22
21	B	1000	962	1.85
22	B	993	955	19.95
23	B	643	618	2.19
24	B	374	359	20.40
25	B	232	223	1.00
26	B	149	144	0.74
27	B	79	76	4.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.186
S2	0.000	1.822	-0.193
S3	0.000	-1.822	-0.193
C4	1.830	1.893	-0.678
C5	-1.830	-1.893	-0.678
H6	1.931	2.766	-1.332
H7	-1.931	-2.766	-1.332
H8	2.447	2.014	0.213
H9	2.100	0.985	-1.221
H10	-2.447	-2.014	0.213
H11	-2.100	-0.985	-1.221

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2848	2.2848	3.2260	3.2260	4.2091	4.2091	3.3146	3.3430	3.3146	3.3430
S2	2.2848		3.6436	1.8943	4.1692	2.4321	5.1057	2.4874	2.4836	4.5673	3.6531
S3	2.2848	3.6436		4.1692	1.8943	5.1057	2.4321	4.5673	3.6531	2.4874	2.4836
C4	3.2260	1.8943	4.1692		5.2652	1.0949	6.0222	1.0910	1.0919	5.8601	4.9008
C5	3.2260	4.1692	1.8943	5.2652		6.0222	1.0949	5.8601	4.9008	1.0910	1.0919
H6	4.2091	2.4321	5.1057	1.0949	6.0222		6.7455	1.7942	1.7922	6.6624	5.5067
H7	4.2091	5.1057	2.4321	6.0222	1.0949	6.7455		6.6624	5.5067	1.7942	1.7922
H8	3.3146	2.4874	4.5673	1.0910	5.8601	1.7942	6.6624		1.7989	6.3372	5.6320
H9	3.3430	2.4836	3.6531	1.0919	4.9008	1.7922	5.5067	1.7989		5.6320	4.6390
H10	3.3146	4.5673	2.4874	5.8601	1.0910	6.6624	1.7942	6.3372	5.6320		1.7989
H11	3.3430	3.6531	2.4836	4.9008	1.0919	5.5067	1.7922	5.6320	4.6390	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.641	S1	S3	C5	100.641
S2	S1	S3	105.753	S2	C4	H6	105.782
S2	C4	H8	109.926	S2	C4	H9	109.599
S3	C5	H7	105.782	S3	C5	H10	109.926
S3	C5	H11	109.599	H6	C4	H8	110.331
H6	C4	H9	110.080	H7	C5	H10	110.331
H7	C5	H11	110.080	H8	C4	H9	110.991
H10	C5	H11	110.991

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

using model chemistry: B3LYP/LANL2DZ

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	-0.079
2	S	0.029
3	S	0.029
4	C	-0.771
5	C	-0.771
6	H	0.251
7	H	0.251
8	H	0.264
9	H	0.265
10	H	0.264
11	H	0.265

	x	y	z
x	10.179	2.849	0.000
y	2.849	16.384	0.000
z	0.000	0.000	8.640

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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