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	hartrees
Energy at 0K	-1274.480480
Energy at 298.15K	-1274.486445
Nuclear repulsion energy	357.657460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3059	5.96
2	A	3135	3042	0.40
3	A	3041	2951	3.75
4	A	1440	1397	6.37
5	A	1423	1380	8.79
6	A	1304	1266	0.53
7	A	953	925	0.45
8	A	950	922	2.29
9	A	681	661	0.25
10	A	468	454	0.04
11	A	253	245	0.04
12	A	176	171	1.61
13	A	142	138	0.50
14	A	60	59	2.18
15	B	3152	3059	2.78
16	B	3134	3042	6.19
17	B	3041	2951	32.73
18	B	1439	1396	11.15
19	B	1422	1380	8.08
20	B	1306	1267	9.69
21	B	953	925	1.99
22	B	945	917	8.62
23	B	679	659	1.37
24	B	442	429	23.76
25	B	267	259	0.62
26	B	159	155	0.46
27	B	93	91	3.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.077
S2	0.000	1.695	-0.165
S3	0.000	-1.695	-0.165
C4	1.770	1.846	-0.630
C5	-1.770	-1.846	-0.630
H6	1.844	2.745	-1.258
H7	-1.844	-2.745	-1.258
H8	2.393	1.967	0.263
H9	2.084	0.970	-1.209
H10	-2.393	-1.967	0.263
H11	-2.084	-0.970	-1.209

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1016	2.1016	3.0750	3.0750	4.0479	4.0479	3.2032	3.2422	3.2032	3.2422
S2	2.1016		3.3902	1.8363	3.9862	2.3866	4.9300	2.4465	2.4411	4.3958	3.5409
S3	2.1016	3.3902		3.9862	1.8363	4.9300	2.3866	4.3958	3.5409	2.4465	2.4411
C4	3.0750	1.8363	3.9862		5.1154	1.0987	5.8764	1.0955	1.0960	5.7160	4.8088
C5	3.0750	3.9862	1.8363	5.1154		5.8764	1.0987	5.7160	4.8088	1.0955	1.0960
H6	4.0479	2.3866	4.9300	1.0987	5.8764		6.6131	1.7942	1.7912	6.5168	5.4070
H7	4.0479	4.9300	2.3866	5.8764	1.0987	6.6131		6.5168	5.4070	1.7942	1.7912
H8	3.2032	2.4465	4.3958	1.0955	5.7160	1.7942	6.5168		1.8042	6.1960	5.5538
H9	3.2422	2.4411	3.5409	1.0960	4.8088	1.7912	5.4070	1.8042		5.5538	4.5983
H10	3.2032	4.3958	2.4465	5.7160	1.0955	6.5168	1.7942	6.1960	5.5538		1.8042
H11	3.2422	3.5409	2.4411	4.8088	1.0960	5.4070	1.7912	5.5538	4.5983	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.470	S1	S3	C5	102.470
S2	S1	S3	107.525	S2	C4	H6	106.066
S2	C4	H8	110.565	S2	C4	H9	110.138
S3	C5	H7	106.066	S3	C5	H10	110.565
S3	C5	H11	110.138	H6	C4	H8	109.715
H6	C4	H9	109.404	H7	C5	H10	109.715
H7	C5	H11	109.404	H8	C4	H9	110.835
H10	C5	H11	110.835

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

using model chemistry: B3LYP/aug-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	-0.087
2	S	0.093
3	S	0.093
4	C	0.637
5	C	0.637
6	H	-0.259
7	H	-0.259
8	H	-0.214
9	H	-0.213
10	H	-0.214
11	H	-0.213

	x	y	z
x	13.548	2.623	0.000
y	2.623	17.833	0.000
z	0.000	0.000	11.910

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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