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	hartrees
Energy at 0K	-1274.465611
Energy at 298.15K	-1274.471639
HF Energy	-1274.465611
Nuclear repulsion energy	364.973107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3035	4.68
2	A	3157	3020	0.02
3	A	3067	2933	4.17
4	A	1482	1417	7.26
5	A	1458	1395	9.31
6	A	1343	1285	0.25
7	A	979	937	0.87
8	A	965	923	1.70
9	A	714	683	0.20
10	A	502	480	0.11
11	A	270	259	0.10
12	A	178	170	2.11
13	A	119	113	0.15
14	A	52	50	2.26
15	B	3172	3034	3.28
16	B	3157	3020	4.66
17	B	3066	2933	30.43
18	B	1481	1416	10.41
19	B	1458	1395	8.93
20	B	1345	1286	6.29
21	B	975	933	9.31
22	B	964	923	3.31
23	B	712	681	1.09
24	B	490	469	15.86
25	B	280	268	0.79
26	B	133	128	1.05
27	B	91	87	3.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.000
S2	0.000	1.673	-0.113
S3	0.000	-1.673	-0.113
C4	1.694	1.909	-0.648
C5	-1.694	-1.909	-0.648
H6	1.742	2.935	-1.018
H7	-1.742	-2.935	-1.018
H8	2.406	1.798	0.171
H9	1.971	1.235	-1.459
H10	-2.406	-1.798	0.171
H11	-1.971	-1.235	-1.459

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0093	2.0093	3.0380	3.0380	3.9643	3.9643	3.1159	3.3847	3.1159	3.3847
S2	2.0093		3.3463	1.7924	3.9984	2.3331	5.0085	2.4261	2.4269	4.2329	3.7622
S3	2.0093	3.3463		3.9984	1.7924	5.0085	2.3331	4.2329	3.7622	2.4261	2.4269
C4	3.0380	1.7924	3.9984		5.1046	1.0916	5.9499	1.0908	1.0902	5.5878	4.8965
C5	3.0380	3.9984	1.7924	5.1046		5.9499	1.0916	5.5878	4.8965	1.0908	1.0902
H6	3.9643	2.3331	5.0085	1.0916	5.9499		6.8252	1.7741	1.7712	6.4041	5.6004
H7	3.9643	5.0085	2.3331	5.9499	1.0916	6.8252		6.4041	5.6004	1.7741	1.7712
H8	3.1159	2.4261	4.2329	1.0908	5.5878	1.7741	6.4041		1.7784	6.0072	5.5691
H9	3.3847	2.4269	3.7622	1.0902	4.8965	1.7712	5.6004	1.7784		5.5691	4.6519
H10	3.1159	4.2329	2.4261	5.5878	1.0908	6.4041	1.7741	6.0072	5.5691		1.7784
H11	3.3847	3.7622	2.4269	4.8965	1.0902	5.6004	1.7712	5.5691	4.6519	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	105.951	S1	S3	C5	105.951
S2	S1	S3	112.755	S2	C4	H6	105.404
S2	C4	H8	112.298	S2	C4	H9	112.387
S3	C5	H7	105.404	S3	C5	H10	112.298
S3	C5	H11	112.387	H6	C4	H8	108.770
H6	C4	H9	108.542	H7	C5	H10	108.770
H7	C5	H11	108.542	H8	C4	H9	109.259
H10	C5	H11	109.259

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

using model chemistry: wB97X-D/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	-0.134
2	S	-0.040
3	S	-0.040
4	C	-0.689
5	C	-0.689
6	H	0.239
7	H	0.239
8	H	0.284
9	H	0.273
10	H	0.284
11	H	0.273

	x	y	z
x	13.015	2.211	0.000
y	2.211	16.606	0.000
z	0.000	0.000	11.761

<r²>	271.568
(<r²>)^1/2	16.479

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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