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	hartrees
Energy at 0K	-45.265836
Energy at 298.15K	-45.271454
Nuclear repulsion energy	84.577922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3093	30.48
2	A	3176	3076	0.71
3	A	3061	2965	6.40
4	A	1480	1433	10.26
5	A	1464	1417	17.18
6	A	1360	1317	0.41
7	A	981	950	5.39
8	A	980	949	8.47
9	A	641	621	0.00
10	A	416	403	0.29
11	A	220	213	0.09
12	A	156	151	2.18
13	A	125	121	1.52
14	A	51	49	3.62
15	B	3194	3093	13.36
16	B	3176	3075	20.56
17	B	3061	2964	55.51
18	B	1479	1433	20.78
19	B	1463	1417	12.82
20	B	1363	1320	10.09
21	B	981	950	2.23
22	B	975	945	19.74
23	B	640	620	3.16
24	B	404	391	25.14
25	B	231	223	1.09
26	B	146	141	0.69
27	B	78	75	4.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.154
S2	0.000	1.815	-0.186
S3	0.000	-1.815	-0.186
C4	1.844	1.935	-0.662
C5	-1.844	-1.935	-0.662
H6	1.925	2.831	-1.299
H7	-1.925	-2.831	-1.299
H8	2.456	2.051	0.243
H9	2.138	1.039	-1.227
H10	-2.456	-2.051	0.243
H11	-2.138	-1.039	-1.227

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2565	2.2565	3.2322	3.2322	4.2118	4.2118	3.3267	3.3648	3.3267	3.3648
S2	2.2565		3.6303	1.9085	4.2065	2.4447	5.1507	2.5041	2.5013	4.5999	3.7151
S3	2.2565	3.6303		4.2065	1.9085	5.1507	2.4447	4.5999	3.7151	2.5041	2.5013
C4	3.2322	1.9085	4.2065		5.3468	1.1018	6.1098	1.0984	1.0992	5.9328	5.0026
C5	3.2322	4.2065	1.9085	5.3468		6.1098	1.1018	5.9328	5.0026	1.0984	1.0992
H6	4.2118	2.4447	5.1507	1.1018	6.1098		6.8466	1.8079	1.8055	6.7378	5.6117
H7	4.2118	5.1507	2.4447	6.1098	1.1018	6.8466		6.7378	5.6117	1.8079	1.8055
H8	3.3267	2.5041	4.5999	1.0984	5.9328	1.8079	6.7378		1.8122	6.3987	5.7281
H9	3.3648	2.5013	3.7151	1.0992	5.0026	1.8055	5.6117	1.8122		5.7281	4.7545
H10	3.3267	4.5999	2.5041	5.9328	1.0984	6.7378	1.8079	6.3987	5.7281		1.8122
H11	3.3648	3.7151	2.5013	5.0026	1.0992	5.6117	1.8055	5.7281	4.7545	1.8122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.472	S1	S3	C5	101.472
S2	S1	S3	107.107	S2	C4	H6	105.446
S2	C4	H8	109.820	S2	C4	H9	109.575
S3	C5	H7	105.446	S3	C5	H10	109.820
S3	C5	H11	109.575	H6	C4	H8	110.511
H6	C4	H9	110.235	H7	C5	H10	110.511
H7	C5	H11	110.235	H8	C4	H9	111.100
H10	C5	H11	111.100

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

using model chemistry: B3LYP/CEP-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	-0.069
2	S	-0.000
3	S	-0.000
4	C	-0.582
5	C	-0.582
6	H	0.196
7	H	0.196
8	H	0.210
9	H	0.211
10	H	0.210
11	H	0.211

	x	y	z
x	10.663	2.707	0.000
y	2.707	16.743	0.000
z	0.000	0.000	8.834

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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