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	hartrees
Energy at 0K	-1273.792663
Energy at 298.15K	-1273.798535
Nuclear repulsion energy	357.748364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3094	3076	3.86
2	A	3080	3062	0.01
3	A	2975	2957	3.15
4	A	1396	1388	7.70
5	A	1377	1369	8.55
6	A	1257	1250	0.21
7	A	923	917	0.16
8	A	919	914	5.22
9	A	676	672	0.95
10	A	464	462	0.03
11	A	251	250	0.10
12	A	171	170	1.79
13	A	142	142	0.80
14	A	58	57	1.86
15	B	3093	3075	2.68
16	B	3080	3062	3.89
17	B	2974	2957	31.00
18	B	1395	1387	13.37
19	B	1377	1369	8.90
20	B	1259	1252	11.60
21	B	923	918	1.64
22	B	913	908	12.92
23	B	674	670	3.36
24	B	425	423	31.08
25	B	265	264	0.89
26	B	159	158	0.76
27	B	94	93	3.58

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.081
S2	0.000	1.699	-0.155
S3	0.000	-1.699	-0.155
C4	1.761	1.829	-0.647
C5	-1.761	-1.829	-0.647
H6	1.830	2.722	-1.301
H7	-1.830	-2.722	-1.301
H8	2.410	1.962	0.239
H9	2.060	0.931	-1.221
H10	-2.410	-1.962	0.239
H11	-2.060	-0.931	-1.221

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1005	2.1005	3.0709	3.0709	4.0535	4.0535	3.2198	3.2260	3.2198	3.2260
S2	2.1005		3.3973	1.8329	3.9732	2.3896	4.9196	2.4560	2.4432	4.4006	3.5061
S3	2.1005	3.3973		3.9732	1.8329	4.9196	2.3896	4.4006	3.5061	2.4560	2.4432
C4	3.0709	1.8329	3.9732		5.0775	1.1089	5.8336	1.1063	1.1071	5.7055	4.7479
C5	3.0709	3.9732	1.8329	5.0775		5.8336	1.1089	5.7055	4.7479	1.1063	1.1071
H6	4.0535	2.3896	4.9196	1.1089	5.8336		6.5596	1.8122	1.8074	6.5031	5.3365
H7	4.0535	4.9196	2.3896	5.8336	1.1089	6.5596		6.5031	5.3365	1.8122	1.8074
H8	3.2198	2.4560	4.4006	1.1063	5.7055	1.8122	6.5031		1.8216	6.2155	5.5208
H9	3.2260	2.4432	3.5061	1.1071	4.7479	1.8074	5.3365	1.8216		5.5208	4.5207
H10	3.2198	4.4006	2.4560	5.7055	1.1063	6.5031	1.8122	6.2155	5.5208		1.8216
H11	3.2260	3.5061	2.4432	4.7479	1.1071	5.3365	1.8074	5.5208	4.5207	1.8216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.439	S1	S3	C5	102.439
S2	S1	S3	107.933	S2	C4	H6	106.006
S2	C4	H8	110.926	S2	C4	H9	109.938
S3	C5	H7	106.006	S3	C5	H10	110.926
S3	C5	H11	109.938	H6	C4	H8	109.787
H6	C4	H9	109.293	H7	C5	H10	109.787
H7	C5	H11	109.293	H8	C4	H9	110.770
H10	C5	H11	110.770

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.061
2	S	-0.052
3	S	-0.052
4	C	-0.160
5	C	-0.160
6	H	0.076
7	H	0.076
8	H	0.082
9	H	0.084
10	H	0.082
11	H	0.084

	x	y	z
x	11.042	2.946	0.000
y	2.946	15.387	0.000
z	0.000	0.000	9.108

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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