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	hartrees
Energy at 0K	-1273.808971
Energy at 298.15K	-1273.814819
Nuclear repulsion energy	357.771742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3092	3072	4.99
2	A	3076	3056	0.17
3	A	2974	2955	3.46
4	A	1386	1377	6.96
5	A	1369	1360	8.61
6	A	1248	1240	0.19
7	A	917	911	0.08
8	A	914	908	2.81
9	A	674	670	0.65
10	A	466	463	0.01
11	A	248	246	0.02
12	A	169	168	1.67
13	A	137	136	0.55
14	A	58	57	2.00
15	B	3092	3072	2.47
16	B	3076	3056	4.86
17	B	2974	2955	30.96
18	B	1385	1376	11.07
19	B	1369	1360	8.60
20	B	1250	1241	7.91
21	B	918	912	1.32
22	B	908	902	9.02
23	B	672	667	2.54
24	B	429	426	31.80
25	B	263	261	0.65
26	B	153	152	0.55
27	B	92	92	3.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.075
S2	0.000	1.697	-0.161
S3	0.000	-1.697	-0.161
C4	1.767	1.838	-0.634
C5	-1.767	-1.838	-0.634
H6	1.843	2.737	-1.275
H7	-1.843	-2.737	-1.275
H8	2.401	1.964	0.260
H9	2.074	0.950	-1.213
H10	-2.401	-1.964	0.260
H11	-2.074	-0.950	-1.213

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0993	2.0993	3.0701	3.0701	4.0512	4.0512	3.2070	3.2313	3.2070	3.2313
S2	2.0993		3.3938	1.8351	3.9806	2.3918	4.9292	2.4519	2.4427	4.3977	3.5235
S3	2.0993	3.3938		3.9806	1.8351	4.9292	2.3918	4.3977	3.5235	2.4519	2.4427
C4	3.0701	1.8351	3.9806		5.1000	1.1062	5.8632	1.1031	1.1038	5.7120	4.7815
C5	3.0701	3.9806	1.8351	5.1000		5.8632	1.1062	5.7120	4.7815	1.1031	1.1038
H6	4.0512	2.3918	4.9292	1.1062	5.8632		6.5991	1.8070	1.8027	6.5162	5.3794
H7	4.0512	4.9292	2.3918	5.8632	1.1062	6.5991		6.5162	5.3794	1.8070	1.8027
H8	3.2070	2.4519	4.3977	1.1031	5.7120	1.8070	6.5162		1.8179	6.2031	5.5390
H9	3.2313	2.4427	3.5235	1.1038	4.7815	1.8027	5.3794	1.8179		5.5390	4.5620
H10	3.2070	4.3977	2.4519	5.7120	1.1031	6.5162	1.8070	6.2031	5.5390		1.8179
H11	3.2313	3.5235	2.4427	4.7815	1.1038	5.3794	1.8027	5.5390	4.5620	1.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.376	S1	S3	C5	102.376
S2	S1	S3	107.865	S2	C4	H6	106.156
S2	C4	H8	110.646	S2	C4	H9	109.929
S3	C5	H7	106.156	S3	C5	H10	110.646
S3	C5	H11	109.929	H6	C4	H8	109.754
H6	C4	H9	109.314	H7	C5	H10	109.754
H7	C5	H11	109.314	H8	C4	H9	110.923
H10	C5	H11	110.923

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.093
2	S	0.084
3	S	0.084
4	C	0.406
5	C	0.406
6	H	-0.178
7	H	-0.178
8	H	-0.133
9	H	-0.133
10	H	-0.133
11	H	-0.133

	x	y	z
x	13.960	2.835	0.000
y	2.835	18.577	0.000
z	0.000	0.000	12.202

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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