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	hartrees
Energy at 0K	-1273.736885
Energy at 298.15K	-1273.742776
Nuclear repulsion energy	357.395509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3109	3066	4.83
2	A	3095	3052	0.00
3	A	2996	2955	2.21
4	A	1440	1420	8.43
5	A	1422	1403	10.07
6	A	1309	1292	0.07
7	A	952	939	0.58
8	A	948	935	6.60
9	A	679	669	0.67
10	A	459	453	0.22
11	A	251	248	0.35
12	A	172	170	2.22
13	A	140	138	1.08
14	A	61	60	2.55
15	B	3109	3066	3.06
16	B	3094	3052	4.56
17	B	2996	2955	23.36
18	B	1439	1419	16.22
19	B	1422	1402	9.38
20	B	1312	1294	6.80
21	B	952	939	2.62
22	B	942	929	15.06
23	B	677	668	2.50
24	B	426	420	34.25
25	B	265	261	1.32
26	B	158	156	0.76
27	B	95	94	4.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.054
S2	0.000	1.708	-0.156
S3	0.000	-1.708	-0.156
C4	1.764	1.882	-0.623
C5	-1.764	-1.882	-0.623
H6	1.830	2.797	-1.233
H7	-1.830	-2.797	-1.233
H8	2.397	1.987	0.268
H9	2.085	1.021	-1.227
H10	-2.397	-1.987	0.268
H11	-2.085	-1.021	-1.227

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0931	2.0931	3.0765	3.0765	4.0502	4.0502	3.2108	3.2547	3.2108	3.2547
S2	2.0931		3.4164	1.8327	4.0274	2.3868	4.9809	2.4502	2.4429	4.4248	3.5980
S3	2.0931	3.4164		4.0274	1.8327	4.9809	2.3868	4.4248	3.5980	2.4502	2.4429
C4	3.0765	1.8327	4.0274		5.1586	1.1016	5.9317	1.0989	1.0997	5.7511	4.8589
C5	3.0765	4.0274	1.8327	5.1586		5.9317	1.1016	5.7511	4.8589	1.0989	1.0997
H6	4.0502	2.3868	4.9809	1.1016	5.9317		6.6857	1.7981	1.7941	6.5584	5.4694
H7	4.0502	4.9809	2.3868	5.9317	1.1016	6.6857		6.5584	5.4694	1.7981	1.7941
H8	3.2108	2.4502	4.4248	1.0989	5.7511	1.7981	6.5584		1.8072	6.2268	5.6015
H9	3.2547	2.4429	3.5980	1.0997	4.8589	1.7941	5.4694	1.8072		5.6015	4.6441
H10	3.2108	4.4248	2.4502	5.7511	1.0989	6.5584	1.7981	6.2268	5.6015		1.8072
H11	3.2547	3.5980	2.4429	4.8589	1.0997	5.4694	1.7941	5.6015	4.6441	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.995	S1	S3	C5	102.995
S2	S1	S3	109.395	S2	C4	H6	106.171
S2	C4	H8	110.905	S2	C4	H9	110.320
S3	C5	H7	106.171	S3	C5	H10	110.905
S3	C5	H11	110.320	H6	C4	H8	109.591
H6	C4	H9	109.182	H7	C5	H10	109.591
H7	C5	H11	109.182	H8	C4	H9	110.562
H10	C5	H11	110.562

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

using model chemistry: PBEPBE/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	-0.071
2	S	0.035
3	S	0.035
4	C	-0.521
5	C	-0.521
6	H	0.169
7	H	0.169
8	H	0.175
9	H	0.178
10	H	0.175
11	H	0.178

	x	y	z
x	10.403	2.672	0.000
y	2.672	15.797	0.000
z	0.000	0.000	9.098

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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