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	hartrees
Energy at 0K	-45.256836
Energy at 298.15K	-45.263002
Nuclear repulsion energy	89.024163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3180	9.76
2	A	3167	3167	0.13
3	A	3065	3065	4.17
4	A	1485	1485	13.75
5	A	1472	1472	8.54
6	A	1365	1365	0.10
7	A	983	983	0.01
8	A	971	971	5.14
9	A	721	721	0.52
10	A	492	492	0.18
11	A	262	262	0.30
12	A	180	180	1.43
13	A	159	159	1.35
14	A	68	68	2.15
15	B	3180	3180	4.98
16	B	3167	3167	8.84
17	B	3064	3064	36.97
18	B	1484	1484	10.68
19	B	1472	1472	16.31
20	B	1367	1367	3.62
21	B	975	975	5.87
22	B	972	972	11.10
23	B	719	719	1.91
24	B	477	477	22.05
25	B	268	268	1.20
26	B	185	185	1.02
27	B	100	100	3.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.079
S2	0.000	1.680	-0.158
S3	0.000	-1.680	-0.158
C4	1.759	1.790	-0.641
C5	-1.759	-1.790	-0.641
H6	1.853	2.666	-1.291
H7	-1.853	-2.666	-1.291
H8	2.397	1.917	0.236
H9	2.055	0.898	-1.199
H10	-2.397	-1.917	0.236
H11	-2.055	-0.898	-1.199

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0865	2.0865	3.0424	3.0424	4.0191	4.0191	3.1827	3.1968	3.1827	3.1968
S2	2.0865		3.3593	1.8270	3.9195	2.3844	4.8574	2.4403	2.4322	4.3398	3.4570
S3	2.0865	3.3593		3.9195	1.8270	4.8574	2.3844	4.3398	3.4570	2.4403	2.4322
C4	3.0424	1.8270	3.9195		5.0185	1.0944	5.7717	1.0917	1.0925	5.6369	4.6990
C5	3.0424	3.9195	1.8270	5.0185		5.7717	1.0944	5.6369	4.6990	1.0917	1.0925
H6	4.0191	2.3844	4.8574	1.0944	5.7717		6.4921	1.7850	1.7812	6.4330	5.2894
H7	4.0191	4.8574	2.3844	5.7717	1.0944	6.4921		6.4330	5.2894	1.7850	1.7812
H8	3.1827	2.4403	4.3398	1.0917	5.6369	1.7850	6.4330		1.7923	6.1377	5.4589
H9	3.1968	2.4322	3.4570	1.0925	4.6990	1.7812	5.2894	1.7923		5.4589	4.4854
H10	3.1827	4.3398	2.4403	5.6369	1.0917	6.4330	1.7850	6.1377	5.4589		1.7923
H11	3.1968	3.4570	2.4322	4.6990	1.0925	5.2894	1.7812	5.4589	4.4854	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.840	S1	S3	C5	101.840
S2	S1	S3	107.220	S2	C4	H6	106.705
S2	C4	H8	110.934	S2	C4	H9	110.284
S3	C5	H7	106.705	S3	C5	H10	110.934
S3	C5	H11	110.284	H6	C4	H8	109.477
H6	C4	H9	109.070	H7	C5	H10	109.477
H7	C5	H11	109.070	H8	C4	H9	110.286
H10	C5	H11	110.286

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

using model chemistry: B1B95/CEP-121G*

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	-0.048
2	S	0.012
3	S	0.012
4	C	-0.640
5	C	-0.640
6	H	0.211
7	H	0.211
8	H	0.221
9	H	0.220
10	H	0.221
11	H	0.220

	x	y	z
x	11.210	2.413	0.000
y	2.413	15.323	0.000
z	0.000	0.000	9.885

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-121G*

States and conformations

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