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	hartrees
Energy at 0K	-1274.479866
Energy at 298.15K	-1274.486006
Nuclear repulsion energy	361.839046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3033	8.64
2	A	3164	3020	0.10
3	A	3072	2932	3.53
4	A	1495	1427	12.93
5	A	1481	1414	10.30
6	A	1379	1316	0.11
7	A	1000	954	0.93
8	A	998	952	9.36
9	A	717	685	0.24
10	A	479	457	0.31
11	A	262	250	0.36
12	A	188	180	1.96
13	A	152	145	1.56
14	A	62	59	2.67
15	B	3178	3033	4.24
16	B	3164	3020	7.61
17	B	3072	2932	37.13
18	B	1494	1426	16.28
19	B	1481	1414	14.39
20	B	1381	1318	3.81
21	B	1000	954	2.19
22	B	992	947	22.19
23	B	716	683	2.11
24	B	460	439	23.25
25	B	274	261	1.39
26	B	178	170	0.84
27	B	95	91	3.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.053
S2	0.000	1.680	-0.167
S3	0.000	-1.680	-0.167
C4	1.752	1.829	-0.606
C5	-1.752	-1.829	-0.606
H6	1.844	2.736	-1.205
H7	-1.844	-2.736	-1.205
H8	2.368	1.922	0.286
H9	2.074	0.976	-1.201
H10	-2.368	-1.922	0.286
H11	-2.074	-0.976	-1.201

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0757	2.0757	3.0273	3.0273	3.9978	3.9978	3.1447	3.2144	3.1447	3.2144
S2	2.0757		3.3597	1.8120	3.9463	2.3651	4.8969	2.4230	2.4219	4.3343	3.5248
S3	2.0757	3.3597		3.9463	1.8120	4.8969	2.3651	4.3343	3.5248	2.4230	2.4219
C4	3.0273	1.8120	3.9463		5.0650	1.0909	5.8419	1.0882	1.0888	5.6425	4.7808
C5	3.0273	3.9463	1.8120	5.0650		5.8419	1.0909	5.6425	4.7808	1.0882	1.0888
H6	3.9978	2.3651	4.8969	1.0909	5.8419		6.5991	1.7776	1.7750	6.4547	5.3971
H7	3.9978	4.8969	2.3651	5.8419	1.0909	6.5991		6.4547	5.3971	1.7776	1.7750
H8	3.1447	2.4230	4.3343	1.0882	5.6425	1.7776	6.4547		1.7870	6.0997	5.5081
H9	3.2144	2.4219	3.5248	1.0888	4.7808	1.7750	5.3971	1.7870		5.5081	4.5838
H10	3.1447	4.3343	2.4230	5.6425	1.0882	6.4547	1.7776	6.0997	5.5081		1.7870
H11	3.2144	3.5248	2.4219	4.7808	1.0888	5.3971	1.7750	5.5081	4.5838	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.066	S1	S3	C5	102.066
S2	S1	S3	108.059	S2	C4	H6	106.464
S2	C4	H8	110.842	S2	C4	H9	110.729
S3	C5	H7	106.464	S3	C5	H10	110.842
S3	C5	H11	110.729	H6	C4	H8	109.322
H6	C4	H9	109.045	H7	C5	H10	109.322
H7	C5	H11	109.045	H8	C4	H9	110.339
H10	C5	H11	110.339

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

using model chemistry: mPW1PW91/6-311G*

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	-0.054
2	S	0.051
3	S	0.051
4	C	-0.828
5	C	-0.828
6	H	0.260
7	H	0.260
8	H	0.270
9	H	0.274
10	H	0.270
11	H	0.274

	x	y	z
x	10.842	2.173	0.000
y	2.173	14.862	0.000
z	0.000	0.000	9.441

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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