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	hartrees
Energy at 0K	-1273.809651
Energy at 298.15K	-1273.815780
HF Energy	-1273.598793
Nuclear repulsion energy	361.039055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3042	6.41
2	A	3190	3028	0.07
3	A	3098	2940	3.12
4	A	1528	1451	7.97
5	A	1509	1433	8.96
6	A	1405	1333	0.33
7	A	1014	962	0.02
8	A	1011	960	5.67
9	A	715	679	0.12
10	A	482	458	0.36
11	A	265	251	0.42
12	A	185	176	1.93
13	A	151	144	1.15
14	A	61	58	2.52
15	B	3204	3042	3.57
16	B	3189	3027	5.90
17	B	3098	2940	28.15
18	B	1527	1450	14.15
19	B	1509	1432	9.08
20	B	1407	1336	8.65
21	B	1014	962	2.75
22	B	1006	955	15.46
23	B	714	678	1.24
24	B	470	446	19.10
25	B	274	260	1.22
26	B	173	164	0.71
27	B	96	91	3.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.070
S2	0.000	1.679	-0.157
S3	0.000	-1.679	-0.157
C4	1.755	1.809	-0.635
C5	-1.755	-1.809	-0.635
H6	1.841	2.700	-1.262
H7	-1.841	-2.700	-1.262
H8	2.390	1.920	0.244
H9	2.058	0.934	-1.212
H10	-2.390	-1.920	0.244
H11	-2.058	-0.934	-1.212

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0798	2.0798	3.0432	3.0432	4.0145	4.0145	3.1745	3.2117	3.1745	3.2117
S2	2.0798		3.3588	1.8240	3.9344	2.3774	4.8773	2.4349	2.4298	4.3391	3.4900
S3	2.0798	3.3588		3.9344	1.8240	4.8773	2.3774	4.3391	3.4900	2.4349	2.4298
C4	3.0432	1.8240	3.9344		5.0416	1.0926	5.8016	1.0900	1.0907	5.6446	4.7331
C5	3.0432	3.9344	1.8240	5.0416		5.8016	1.0926	5.6446	4.7331	1.0900	1.0907
H6	4.0145	2.3774	4.8773	1.0926	5.8016		6.5357	1.7828	1.7795	6.4430	5.3305
H7	4.0145	4.8773	2.3774	5.8016	1.0926	6.5357		6.4430	5.3305	1.7828	1.7795
H8	3.1745	2.4349	4.3391	1.0900	5.6446	1.7828	6.4430		1.7897	6.1308	5.4819
H9	3.2117	2.4298	3.4900	1.0907	4.7331	1.7795	5.3305	1.7897		5.4819	4.5206
H10	3.1745	4.3391	2.4349	5.6446	1.0900	6.4430	1.7828	6.1308	5.4819		1.7897
H11	3.2117	3.4900	2.4298	4.7331	1.0907	5.3305	1.7795	5.4819	4.5206	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.241	S1	S3	C5	102.241
S2	S1	S3	107.704	S2	C4	H6	106.494
S2	C4	H8	110.831	S2	C4	H9	110.407
S3	C5	H7	106.494	S3	C5	H10	110.831
S3	C5	H11	110.407	H6	C4	H8	109.538
H6	C4	H9	109.181	H7	C5	H10	109.538
H7	C5	H11	109.181	H8	C4	H9	110.303
H10	C5	H11	110.303

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

using model chemistry: B2PLYP/6-31G*

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	-0.058
2	S	0.036
3	S	0.036
4	C	-0.615
5	C	-0.615
6	H	0.197
7	H	0.197
8	H	0.204
9	H	0.207
10	H	0.204
11	H	0.207

	x	y	z
x	9.875	2.227	0.000
y	2.227	14.266	0.000
z	0.000	0.000	8.828

<r²>	279.273
(<r²>)^1/2	16.711

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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