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	hartrees
Energy at 0K	-1270.848050
Energy at 298.15K	-1270.854109
Nuclear repulsion energy	369.370055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3098	3049	0.16
2	A	3080	3031	0.15
3	A	2979	2931	2.12
4	A	1396	1373	9.33
5	A	1376	1354	8.73
6	A	1256	1236	0.36
7	A	923	908	0.18
8	A	921	906	4.85
9	A	721	710	1.26
10	A	507	499	0.04
11	A	271	266	0.04
12	A	178	175	1.14
13	A	155	153	2.52
14	A	50	49	1.46
15	B	3098	3048	1.54
16	B	3080	3030	0.34
17	B	2978	2930	14.39
18	B	1394	1372	11.51
19	B	1375	1353	9.72
20	B	1259	1239	4.39
21	B	927	912	2.79
22	B	914	899	17.31
23	B	718	707	3.31
24	B	477	469	24.17
25	B	274	269	1.10
26	B	176	173	1.07
27	B	93	91	5.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.105
S2	0.000	1.632	-0.126
S3	0.000	-1.632	-0.126
C4	1.696	1.631	-0.713
C5	-1.696	-1.631	-0.713
H6	1.781	2.438	-1.459
H7	-1.781	-2.438	-1.459
H8	2.401	1.810	0.111
H9	1.907	0.666	-1.201
H10	-2.401	-1.810	0.111
H11	-1.907	-0.666	-1.201

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0439	2.0439	2.9735	2.9735	3.9609	3.9609	3.1665	3.0661	3.1665	3.0661
S2	2.0439		3.2636	1.7946	3.7238	2.3662	4.6382	2.4193	2.3933	4.2029	3.1741
S3	2.0439	3.2636		3.7238	1.7946	4.6382	2.3662	4.2029	3.1741	2.4193	2.3933
C4	2.9735	1.7946	3.7238		4.7057	1.1020	5.4039	1.0997	1.1022	5.4131	4.3009
C5	2.9735	3.7238	1.7946	4.7057		5.4039	1.1020	5.4131	4.3009	1.0997	1.1022
H6	3.9609	2.3662	4.6382	1.1020	5.4039		6.0388	1.8014	1.7952	6.1643	4.8276
H7	3.9609	4.6382	2.3662	5.4039	1.1020	6.0388		6.1643	4.8276	1.8014	1.7952
H8	3.1665	2.4193	4.2029	1.0997	5.4131	1.8014	6.1643		1.8098	6.0131	5.1395
H9	3.0661	2.3933	3.1741	1.1022	4.3009	1.7952	4.8276	1.8098		5.1395	4.0406
H10	3.1665	4.2029	2.4193	5.4131	1.0997	6.1643	1.8014	6.0131	5.1395		1.8098
H11	3.0661	3.1741	2.3933	4.3009	1.1022	4.8276	1.7952	5.1395	4.0406	1.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.350	S1	S3	C5	101.350
S2	S1	S3	105.952	S2	C4	H6	107.118
S2	C4	H8	111.136	S2	C4	H9	109.076
S3	C5	H7	107.118	S3	C5	H10	111.136
S3	C5	H11	109.076	H6	C4	H8	109.807
H6	C4	H9	109.064	H7	C5	H10	109.807
H7	C5	H11	109.064	H8	C4	H9	110.556
H10	C5	H11	110.556

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.060
2	S	-0.070
3	S	-0.070
4	C	-0.473
5	C	-0.473
6	H	0.186
7	H	0.186
8	H	0.189
9	H	0.197
10	H	0.189
11	H	0.197

	x	y	z
x	11.014	2.359	0.000
y	2.359	15.119	0.000
z	0.000	0.000	10.077

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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