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	hartrees
Energy at 0K	-1274.440513
Energy at 298.15K	-1274.446720
Nuclear repulsion energy	363.864716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3039	4.69
2	A	3188	3026	0.00
3	A	3091	2934	2.86
4	A	1507	1430	11.12
5	A	1492	1416	8.64
6	A	1385	1315	0.09
7	A	1005	954	0.04
8	A	997	946	6.47
9	A	722	686	0.25
10	A	497	471	0.31
11	A	271	257	0.53
12	A	186	177	1.74
13	A	161	153	1.56
14	A	66	63	2.58
15	B	3201	3039	3.25
16	B	3187	3026	4.38
17	B	3091	2934	25.57
18	B	1505	1429	12.80
19	B	1492	1416	13.13
20	B	1388	1317	4.37
21	B	1000	949	1.47
22	B	997	946	18.55
23	B	721	684	1.60
24	B	481	457	20.74
25	B	275	261	1.52
26	B	185	176	0.93
27	B	102	97	3.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.067
S2	0.000	1.664	-0.151
S3	0.000	-1.664	-0.151
C4	1.740	1.779	-0.643
C5	-1.740	-1.779	-0.643
H6	1.824	2.660	-1.284
H7	-1.824	-2.660	-1.284
H8	2.385	1.901	0.227
H9	2.032	0.896	-1.211
H10	-2.385	-1.901	0.227
H11	-2.032	-0.896	-1.211

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0623	2.0623	3.0200	3.0200	3.9911	3.9911	3.1629	3.1822	3.1629	3.1822
S2	2.0623		3.3282	1.8121	3.8896	2.3668	4.8276	2.4260	2.4179	4.3053	3.4364
S3	2.0623	3.3282		3.8896	1.8121	4.8276	2.3668	4.3053	3.4364	2.4260	2.4179
C4	3.0200	1.8121	3.8896		4.9779	1.0921	5.7288	1.0897	1.0906	5.5959	4.6598
C5	3.0200	3.8896	1.8121	4.9779		5.7288	1.0921	5.5959	4.6598	1.0897	1.0906
H6	3.9911	2.3668	4.8276	1.0921	5.7288		6.4499	1.7819	1.7776	6.3868	5.2457
H7	3.9911	4.8276	2.3668	5.7288	1.0921	6.4499		6.3868	5.2457	1.7819	1.7776
H8	3.1629	2.4260	4.3053	1.0897	5.5959	1.7819	6.3868		1.7899	6.0987	5.4222
H9	3.1822	2.4179	3.4364	1.0906	4.6598	1.7776	5.2457	1.7899		5.4222	4.4422
H10	3.1629	4.3053	2.4260	5.5959	1.0897	6.3868	1.7819	6.0987	5.4222		1.7899
H11	3.1822	3.4364	2.4179	4.6598	1.0906	5.2457	1.7776	5.4222	4.4422	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.229	S1	S3	C5	102.229
S2	S1	S3	107.587	S2	C4	H6	106.516
S2	C4	H8	110.981	S2	C4	H9	110.321
S3	C5	H7	106.516	S3	C5	H10	110.981
S3	C5	H11	110.321	H6	C4	H8	109.511
H6	C4	H9	109.061	H7	C5	H10	109.511
H7	C5	H11	109.061	H8	C4	H9	110.357
H10	C5	H11	110.357

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

using model chemistry: B1B95/6-31G*

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	-0.061
2	S	0.039
3	S	0.039
4	C	-0.651
5	C	-0.651
6	H	0.209
7	H	0.209
8	H	0.215
9	H	0.218
10	H	0.215
11	H	0.218

	x	y	z
x	9.894	2.224	0.000
y	2.224	14.156	0.000
z	0.000	0.000	8.855

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-31G*

States and conformations

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