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	hartrees
Energy at 0K	-1274.225749
Energy at 298.15K	-1274.231831
Nuclear repulsion energy	360.631685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3045	5.56
2	A	3168	3031	0.03
3	A	3073	2940	2.66
4	A	1501	1436	9.51
5	A	1485	1420	10.75
6	A	1378	1318	0.08
7	A	996	953	0.00
8	A	993	950	7.35
9	A	711	680	0.33
10	A	484	463	0.34
11	A	261	250	0.51
12	A	182	174	2.35
13	A	147	141	0.96
14	A	63	60	2.76
15	B	3183	3045	3.04
16	B	3168	3031	5.17
17	B	3073	2940	27.47
18	B	1500	1435	16.15
19	B	1484	1420	10.99
20	B	1380	1320	5.21
21	B	996	953	3.66
22	B	988	945	16.13
23	B	710	679	1.60
24	B	466	446	24.36
25	B	272	261	1.39
26	B	167	159	0.75
27	B	97	93	3.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.050
S2	0.000	1.685	-0.160
S3	0.000	-1.685	-0.160
C4	1.755	1.856	-0.614
C5	-1.755	-1.856	-0.614
H6	1.829	2.764	-1.221
H7	-1.829	-2.764	-1.221
H8	2.380	1.962	0.275
H9	2.083	1.001	-1.210
H10	-2.380	-1.962	0.275
H11	-2.083	-1.001	-1.210

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0744	2.0744	3.0489	3.0489	4.0181	4.0181	3.1807	3.2326	3.1807	3.2326
S2	2.0744		3.3699	1.8209	3.9782	2.3739	4.9262	2.4355	2.4312	4.3768	3.5574
S3	2.0744	3.3699		3.9782	1.8209	4.9262	2.3739	4.3768	3.5574	2.4355	2.4312
C4	3.0489	1.8209	3.9782		5.1089	1.0949	5.8788	1.0924	1.0930	5.6983	4.8215
C5	3.0489	3.9782	1.8209	5.1089		5.8788	1.0949	5.6983	4.8215	1.0924	1.0930
H6	4.0181	2.3739	4.9262	1.0949	5.8788		6.6290	1.7852	1.7821	6.5034	5.4293
H7	4.0181	4.9262	2.3739	5.8788	1.0949	6.6290		6.5034	5.4293	1.7852	1.7821
H8	3.1807	2.4355	4.3768	1.0924	5.6983	1.7852	6.5034		1.7941	6.1695	5.5593
H9	3.2326	2.4312	3.5574	1.0930	4.8215	1.7821	5.4293	1.7941		5.5593	4.6219
H10	3.1807	4.3768	2.4355	5.6983	1.0924	6.5034	1.7852	6.1695	5.5593		1.7941
H11	3.2326	3.5574	2.4312	4.8215	1.0930	5.4293	1.7821	5.5593	4.6219	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.822	S1	S3	C5	102.822
S2	S1	S3	108.632	S2	C4	H6	106.325
S2	C4	H8	110.955	S2	C4	H9	110.599
S3	C5	H7	106.325	S3	C5	H10	110.955
S3	C5	H11	110.599	H6	C4	H8	109.410
H6	C4	H9	109.084	H7	C5	H10	109.410
H7	C5	H11	109.084	H8	C4	H9	110.366
H10	C5	H11	110.366

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

using model chemistry: B3PW91/6-31G*

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	-0.065
2	S	0.040
3	S	0.040
4	C	-0.667
5	C	-0.667
6	H	0.214
7	H	0.214
8	H	0.221
9	H	0.223
10	H	0.221
11	H	0.223

	x	y	z
x	9.999	2.370	0.000
y	2.370	14.723	0.000
z	0.000	0.000	8.843

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31G*

States and conformations

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