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	hartrees
Energy at 0K	-1267.969127
Energy at 298.15K	-1267.974532
Nuclear repulsion energy	337.733769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	3107	4.19
2	A	3100	3083	0.01
3	A	3008	2992	1.83
4	A	1499	1490	11.77
5	A	1486	1478	9.89
6	A	1335	1327	0.38
7	A	962	956	0.45
8	A	957	952	6.91
9	A	591	588	0.01
10	A	387	385	0.10
11	A	210	209	0.01
12	A	149	148	0.63
13	A	121	120	2.62
14	A	39	38	2.00
15	B	3124	3107	5.04
16	B	3100	3083	3.62
17	B	3008	2992	14.37
18	B	1498	1489	15.00
19	B	1486	1477	12.79
20	B	1337	1330	16.34
21	B	960	954	5.75
22	B	955	950	8.26
23	B	589	586	3.49
24	B	354	352	29.85
25	B	217	215	0.42
26	B	149	148	0.61
27	B	74	73	5.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.234
S2	0.000	1.820	-0.182
S3	0.000	-1.820	-0.182
C4	1.846	1.773	-0.736
C5	-1.846	-1.773	-0.736
H6	1.952	2.585	-1.470
H7	-1.952	-2.585	-1.470
H8	2.486	1.941	0.137
H9	2.035	0.799	-1.202
H10	-2.486	-1.941	0.137
H11	-2.035	-0.799	-1.202

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.3057	2.3057	3.2300	3.2300	4.2192	4.2192	3.3389	3.2733	3.3389	3.2733
S2	2.3057		3.6394	1.9279	4.0773	2.4603	4.9869	2.5089	2.4950	4.5193	3.4698
S3	2.3057	3.6394		4.0773	1.9279	4.9869	2.4603	4.5193	3.4698	2.5089	2.4950
C4	3.2300	1.9279	4.0773		5.1197	1.0993	5.8274	1.0954	1.0967	5.7726	4.6796
C5	3.2300	4.0773	1.9279	5.1197		5.8274	1.0993	5.7726	4.6796	1.0954	1.0967
H6	4.2192	2.4603	4.9869	1.0993	5.8274		6.4784	1.8117	1.8081	6.5391	5.2364
H7	4.2192	4.9869	2.4603	5.8274	1.0993	6.4784		6.5391	5.2364	1.8117	1.8081
H8	3.3389	2.5089	4.5193	1.0954	5.7726	1.8117	6.5391		1.8171	6.3075	5.4535
H9	3.2733	2.4950	3.4698	1.0967	4.6796	1.8081	5.2364	1.8171		5.4535	4.3729
H10	3.3389	4.5193	2.5089	5.7726	1.0954	6.5391	1.8117	6.3075	5.4535		1.8171
H11	3.2733	3.4698	2.4950	4.6796	1.0967	5.2364	1.8081	5.4535	4.3729	1.8171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.059	S1	S3	C5	99.059
S2	S1	S3	104.221	S2	C4	H6	105.432
S2	C4	H8	109.047	S2	C4	H9	107.979
S3	C5	H7	105.432	S3	C5	H10	109.047
S3	C5	H11	107.979	H6	C4	H8	111.276
H6	C4	H9	110.842	H7	C5	H10	111.276
H7	C5	H11	110.842	H8	C4	H9	111.983
H10	C5	H11	111.983

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

using model chemistry: BLYP/3-21G

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	-0.068
2	S	0.074
3	S	0.074
4	C	-0.738
5	C	-0.738
6	H	0.225
7	H	0.225
8	H	0.234
9	H	0.239
10	H	0.234
11	H	0.239

	x	y	z
x	10.136	2.695	0.000
y	2.695	16.532	0.000
z	0.000	0.000	9.253

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/3-21G

States and conformations

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