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	hartrees
Energy at 0K	-1273.869139
Energy at 298.15K	-1273.875054
HF Energy	-1273.869139
Nuclear repulsion energy	361.509325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3079	3042	5.99
2	A	3065	3028	0.05
3	A	2976	2940	3.51
4	A	1422	1405	6.58
5	A	1404	1387	9.63
6	A	1283	1267	0.18
7	A	933	922	0.05
8	A	930	919	3.78
9	A	678	670	0.74
10	A	475	469	0.06
11	A	253	250	0.09
12	A	172	170	1.73
13	A	138	136	0.41
14	A	62	61	2.03
15	B	3079	3042	2.68
16	B	3064	3027	5.78
17	B	2975	2939	31.30
18	B	1422	1405	12.38
19	B	1403	1386	8.58
20	B	1284	1268	7.30
21	B	933	922	1.21
22	B	923	912	10.69
23	B	676	668	3.04
24	B	444	439	28.48
25	B	270	266	0.67
26	B	152	150	0.55
27	B	97	96	3.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.977
S2	0.000	1.695	-0.105
S3	0.000	-1.695	-0.105
C4	1.692	1.974	-0.641
C5	-1.692	-1.974	-0.641
H6	1.723	3.016	-0.993
H7	-1.723	-3.016	-0.993
H8	2.415	1.858	0.180
H9	1.983	1.318	-1.474
H10	-2.415	-1.858	0.180
H11	-1.983	-1.318	-1.474

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0113	2.0113	3.0626	3.0626	3.9941	3.9941	3.1500	3.4177	3.1500	3.4177
S2	2.0113		3.3897	1.7968	4.0757	2.3462	5.0946	2.4376	2.4387	4.3056	3.8582
S3	2.0113	3.3897		4.0757	1.7968	5.0946	2.3462	4.3056	3.8582	2.4376	2.4387
C4	3.0626	1.7968	4.0757		5.2004	1.1009	6.0577	1.0998	1.0994	5.6772	5.0044
C5	3.0626	4.0757	1.7968	5.2004		6.0577	1.1009	5.6772	5.0044	1.0998	1.0994
H6	3.9941	2.3462	5.0946	1.1009	6.0577		6.9480	1.7881	1.7838	6.5011	5.7237
H7	3.9941	5.0946	2.3462	6.0577	1.1009	6.9480		6.5011	5.7237	1.7881	1.7838
H8	3.1500	2.4376	4.3056	1.0998	5.6772	1.7881	6.5011		1.7924	6.0946	5.6720
H9	3.4177	2.4387	3.8582	1.0994	5.0044	1.7838	5.7237	1.7924		5.6720	4.7630
H10	3.1500	4.3056	2.4376	5.6772	1.0998	6.5011	1.7881	6.0946	5.6720		1.7924
H11	3.4177	3.8582	2.4387	5.0044	1.0994	5.7237	1.7838	5.6720	4.7630	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	106.937	S1	S3	C5	106.937
S2	S1	S3	114.846	S2	C4	H6	105.602
S2	C4	H8	112.367	S2	C4	H9	112.477
S3	C5	H7	105.602	S3	C5	H10	112.367
S3	C5	H11	112.477	H6	C4	H8	108.688
H6	C4	H9	108.338	H7	C5	H10	108.688
H7	C5	H11	108.338	H8	C4	H9	109.180
H10	C5	H11	109.180

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.074
2	S	-0.067
3	S	-0.067
4	C	-0.256
5	C	-0.256
6	H	0.114
7	H	0.114
8	H	0.122
9	H	0.124
10	H	0.122
11	H	0.124

	x	y	z
x	12.544	3.024	0.000
y	3.024	17.010	0.000
z	0.000	0.000	10.567

<r²>	281.003
(<r²>)^1/2	16.763

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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