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	hartrees
Energy at 0K	-1273.894104
Energy at 298.15K	-1273.900768
Nuclear repulsion energy	362.470785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3040	4.46
2	A	3182	3026	0.00
3	A	3085	2934	2.74
4	A	1504	1430	10.17
5	A	1486	1414	10.65
6	A	267	254	0.51
7	A	185	176	2.23
8	A	151	143	1.26
9	A	61	58	2.60
10	B	3196	3039	2.97
11	B	3181	3026	4.23
12	B	3085	2934	25.63
13	B	1503	1429	15.81
14	B	1486	1413	11.58
15	B	1384	1316	3.99
16	B	1000	951	3.93
17	B	992	944	16.50
18	B	723	687	1.65
19	B	477	454	22.15
20	B	276	262	1.44
21	B	172	164	0.79
22	B	97	92	4.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.061
S2	0.000	1.673	-0.154
S3	0.000	-1.673	-0.154
C4	1.745	1.810	-0.633
C5	-1.745	-1.810	-0.633
H6	1.827	2.704	-1.258
H7	-1.827	-2.704	-1.258
H8	2.384	1.922	0.246
H9	2.051	0.938	-1.216
H10	-2.384	-1.922	0.246
H11	-2.051	-0.938	-1.216

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0681	2.0681	3.0316	3.0316	4.0037	4.0037	3.1687	3.2050	3.1687	3.2050
S2	2.0681		3.3468	1.8148	3.9254	2.3704	4.8704	2.4300	2.4240	4.3322	3.4863
S3	2.0681	3.3468		3.9254	1.8148	4.8704	2.3704	4.3322	3.4863	2.4300	2.4240
C4	3.0316	1.8148	3.9254		5.0287	1.0944	5.7905	1.0920	1.0928	5.6345	4.7228
C5	3.0316	3.9254	1.8148	5.0287		5.7905	1.0944	5.6345	4.7228	1.0920	1.0928
H6	4.0037	2.3704	4.8704	1.0944	5.7905		6.5271	1.7848	1.7811	6.4337	5.3205
H7	4.0037	4.8704	2.3704	5.7905	1.0944	6.5271		6.4337	5.3205	1.7848	1.7811
H8	3.1687	2.4300	4.3322	1.0920	5.6345	1.7848	6.4337		1.7932	6.1240	5.4759
H9	3.2050	2.4240	3.4863	1.0928	4.7228	1.7811	5.3205	1.7932		5.4759	4.5111
H10	3.1687	4.3322	2.4300	5.6345	1.0920	6.4337	1.7848	6.1240	5.4759		1.7932
H11	3.2050	3.4863	2.4240	4.7228	1.0928	5.3205	1.7811	5.4759	4.5111	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.465	S1	S3	C5	102.465
S2	S1	S3	108.025	S2	C4	H6	106.488
S2	C4	H8	110.975	S2	C4	H9	110.483
S3	C5	H7	106.488	S3	C5	H10	110.975
S3	C5	H11	110.483	H6	C4	H8	109.434
H6	C4	H9	109.042	H7	C5	H10	109.434
H7	C5	H11	109.042	H8	C4	H9	110.324
H10	C5	H11	110.324

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

using model chemistry: HSEh1PBE/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	-0.063
2	S	0.042
3	S	0.042
4	C	-0.675
5	C	-0.675
6	H	0.217
7	H	0.217
8	H	0.222
9	H	0.226
10	H	0.222
11	H	0.226

	x	y	z
x	9.929	2.280	0.000
y	2.280	14.407	0.000
z	0.000	0.000	8.861

<r²>	277.424
(<r²>)^1/2	16.656

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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