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	hartrees
Energy at 0K	-1274.435041
Energy at 298.15K	-1274.441067
Nuclear repulsion energy	360.489752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3046	5.43
2	A	3139	3029	0.21
3	A	3049	2942	2.96
4	A	1477	1425	5.20
5	A	1458	1407	7.21
6	A	1338	1291	0.85
7	A	970	936	0.38
8	A	966	932	3.89
9	A	690	666	0.28
10	A	479	462	0.12
11	A	258	249	0.12
12	A	179	172	1.89
13	A	144	139	0.58
14	A	62	60	2.38
15	B	3156	3046	2.63
16	B	3139	3029	5.43
17	B	3049	2942	26.02
18	B	1476	1424	11.37
19	B	1457	1406	6.01
20	B	1340	1293	14.81
21	B	969	935	3.19
22	B	961	927	11.27
23	B	688	664	1.30
24	B	459	443	22.32
25	B	272	262	0.79
26	B	160	155	0.54
27	B	95	92	3.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.054
S2	0.000	1.681	-0.160
S3	0.000	-1.681	-0.160
C4	1.759	1.858	-0.618
C5	-1.759	-1.858	-0.618
H6	1.824	2.762	-1.231
H7	-1.824	-2.762	-1.231
H8	2.379	1.972	0.272
H9	2.084	0.998	-1.206
H10	-2.379	-1.972	0.272
H11	-2.084	-0.998	-1.206

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0741	2.0741	3.0569	3.0569	4.0220	4.0220	3.1879	3.2323	3.1879	3.2323
S2	2.0741		3.3626	1.8264	3.9788	2.3751	4.9207	2.4355	2.4297	4.3812	3.5517
S3	2.0741	3.3626		3.9788	1.8264	4.9207	2.3751	4.3812	3.5517	2.4355	2.4297
C4	3.0569	1.8264	3.9788		5.1174	1.0936	5.8784	1.0905	1.0911	5.7086	4.8241
C5	3.0569	3.9788	1.8264	5.1174		5.8784	1.0936	5.7086	4.8241	1.0905	1.0911
H6	4.0220	2.3751	4.9207	1.0936	5.8784		6.6192	1.7858	1.7829	6.5064	5.4229
H7	4.0220	4.9207	2.3751	5.8784	1.0936	6.6192		6.5064	5.4229	1.7858	1.7829
H8	3.1879	2.4355	4.3812	1.0905	5.7086	1.7858	6.5064		1.7940	6.1806	5.5610
H9	3.2323	2.4297	3.5517	1.0911	4.8241	1.7829	5.4229	1.7940		5.5610	4.6214
H10	3.1879	4.3812	2.4355	5.7086	1.0905	6.5064	1.7858	6.1806	5.5610		1.7940
H11	3.2323	3.5517	2.4297	4.8241	1.0911	5.4229	1.7829	5.5610	4.6214	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.021	S1	S3	C5	103.021
S2	S1	S3	108.311	S2	C4	H6	106.122
S2	C4	H8	110.677	S2	C4	H9	110.220
S3	C5	H7	106.122	S3	C5	H10	110.677
S3	C5	H11	110.220	H6	C4	H8	109.689
H6	C4	H9	109.386	H7	C5	H10	109.689
H7	C5	H11	109.386	H8	C4	H9	110.640
H10	C5	H11	110.640

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.055
2	S	-0.061
3	S	-0.061
4	C	-0.381
5	C	-0.381
6	H	0.151
7	H	0.151
8	H	0.156
9	H	0.162
10	H	0.156
11	H	0.162

	x	y	z
x	10.985	2.531	0.000
y	2.531	15.577	0.000
z	0.000	0.000	9.691

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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