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	hartrees
Energy at 0K	-45.373289
Energy at 298.15K	-45.379265
Nuclear repulsion energy	87.852380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3138	3042	16.57
2	A	3121	3025	1.74
3	A	3030	2938	5.62
4	A	1487	1442	9.15
5	A	1471	1426	10.67
6	A	1356	1315	0.53
7	A	975	945	0.77
8	A	970	941	3.85
9	A	681	660	0.16
10	A	468	454	0.15
11	A	251	243	0.19
12	A	177	172	1.78
13	A	144	140	0.85
14	A	61	59	2.25
15	B	3138	3042	7.10
16	B	3121	3025	15.28
17	B	3030	2937	53.84
18	B	1486	1441	14.69
19	B	1471	1426	10.40
20	B	1358	1317	11.94
21	B	973	943	3.85
22	B	966	936	11.01
23	B	680	659	1.23
24	B	447	434	24.73
25	B	265	256	0.91
26	B	164	159	0.72
27	B	93	90	3.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.067
S2	0.000	1.708	-0.167
S3	0.000	-1.708	-0.167
C4	1.784	1.877	-0.618
C5	-1.784	-1.877	-0.618
H6	1.861	2.782	-1.233
H7	-1.861	-2.782	-1.233
H8	2.401	1.988	0.278
H9	2.111	1.012	-1.204
H10	-2.401	-1.988	0.278
H11	-2.111	-1.012	-1.204

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1066	2.1066	3.0896	3.0896	4.0608	4.0608	3.2153	3.2617	3.2153	3.2617
S2	2.1066		3.4156	1.8483	4.0295	2.3987	4.9755	2.4578	2.4530	4.4293	3.5963
S3	2.1066	3.4156		4.0295	1.8483	4.9755	2.3987	4.4293	3.5963	2.4578	2.4530
C4	3.0896	1.8483	4.0295		5.1791	1.0966	5.9470	1.0936	1.0939	5.7666	4.8853
C5	3.0896	4.0295	1.8483	5.1791		5.9470	1.0966	5.7666	4.8853	1.0936	1.0939
H6	4.0608	2.3987	4.9755	1.0966	5.9470		6.6936	1.7901	1.7871	6.5722	5.4933
H7	4.0608	4.9755	2.3987	5.9470	1.0966	6.6936		6.5722	5.4933	1.7901	1.7871
H8	3.2153	2.4578	4.4293	1.0936	5.7666	1.7901	6.5722		1.7971	6.2340	5.6176
H9	3.2617	2.4530	3.5963	1.0939	4.8853	1.7871	5.4933	1.7971		5.6176	4.6832
H10	3.2153	4.4293	2.4578	5.7666	1.0936	6.5722	1.7901	6.2340	5.6176		1.7971
H11	3.2617	3.5963	2.4530	4.8853	1.0939	5.4933	1.7871	5.6176	4.6832	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.546	S1	S3	C5	102.546
S2	S1	S3	108.324	S2	C4	H6	106.258
S2	C4	H8	110.695	S2	C4	H9	110.320
S3	C5	H7	106.258	S3	C5	H10	110.695
S3	C5	H11	110.320	H6	C4	H8	109.643
H6	C4	H9	109.343	H7	C5	H10	109.643
H7	C5	H11	109.343	H8	C4	H9	110.486
H10	C5	H11	110.486

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

using model chemistry: B3LYP/CEP-121G*

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	-0.051
2	S	0.003
3	S	0.003
4	C	-0.577
5	C	-0.577
6	H	0.193
7	H	0.193
8	H	0.203
9	H	0.204
10	H	0.203
11	H	0.204

	x	y	z
x	11.632	2.727	0.000
y	2.727	16.083	0.000
z	0.000	0.000	9.944

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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