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	hartrees
Energy at 0K	-1273.837964
Energy at 298.15K	-1273.844120
HF Energy	-1273.837964
Nuclear repulsion energy	362.775884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3039	3.93
2	A	3184	3026	0.00
3	A	3087	2933	2.53
4	A	1504	1429	10.59
5	A	1487	1413	10.67
6	A	1382	1313	0.02
7	A	1002	952	0.03
8	A	998	949	7.17
9	A	727	691	0.31
10	A	496	471	0.34
11	A	268	254	0.54
12	A	185	176	2.24
13	A	152	145	1.27
14	A	61	58	2.64
15	B	3197	3039	2.65
16	B	3184	3025	3.74
17	B	3087	2933	24.43
18	B	1503	1428	15.66
19	B	1486	1412	12.17
20	B	1385	1316	3.49
21	B	1001	951	4.09
22	B	993	944	16.71
23	B	726	690	1.68
24	B	482	458	21.58
25	B	276	262	1.45
26	B	174	165	0.81
27	B	97	92	4.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.061
S2	0.000	1.671	-0.154
S3	0.000	-1.671	-0.154
C4	1.744	1.807	-0.632
C5	-1.744	-1.807	-0.632
H6	1.826	2.702	-1.258
H7	-1.826	-2.702	-1.258
H8	2.383	1.919	0.246
H9	2.051	0.935	-1.215
H10	-2.383	-1.919	0.246
H11	-2.051	-0.935	-1.215

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0661	2.0661	3.0292	3.0292	4.0014	4.0014	3.1665	3.2033	3.1665	3.2033
S2	2.0661		3.3422	1.8138	3.9205	2.3697	4.8656	2.4293	2.4234	4.3280	3.4819
S3	2.0661	3.3422		3.9205	1.8138	4.8656	2.3697	4.3280	3.4819	2.4293	2.4234
C4	3.0292	1.8138	3.9205		5.0236	1.0946	5.7853	1.0921	1.0929	5.6300	4.7184
C5	3.0292	3.9205	1.8138	5.0236		5.7853	1.0946	5.6300	4.7184	1.0921	1.0929
H6	4.0014	2.3697	4.8656	1.0946	5.7853		6.5218	1.7849	1.7812	6.4292	5.3157
H7	4.0014	4.8656	2.3697	5.7853	1.0946	6.5218		6.4292	5.3157	1.7849	1.7812
H8	3.1665	2.4293	4.3280	1.0921	5.6300	1.7849	6.4292		1.7934	6.1200	5.4721
H9	3.2033	2.4234	3.4819	1.0929	4.7184	1.7812	5.3157	1.7934		5.4721	4.5076
H10	3.1665	4.3280	2.4293	5.6300	1.0921	6.4292	1.7849	6.1200	5.4721		1.7934
H11	3.2033	3.4819	2.4234	4.7184	1.0929	5.3157	1.7812	5.4721	4.5076	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.461	S1	S3	C5	102.461
S2	S1	S3	107.960	S2	C4	H6	106.491
S2	C4	H8	110.982	S2	C4	H9	110.501
S3	C5	H7	106.491	S3	C5	H10	110.982
S3	C5	H11	110.501	H6	C4	H8	109.420
H6	C4	H9	109.031	H7	C5	H10	109.420
H7	C5	H11	109.031	H8	C4	H9	110.319
H10	C5	H11	110.319

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

using model chemistry: PBE1PBE/6-31G*

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	-0.062
2	S	0.043
3	S	0.043
4	C	-0.683
5	C	-0.683
6	H	0.219
7	H	0.219
8	H	0.225
9	H	0.228
10	H	0.225
11	H	0.228

	x	y	z
x	9.906	2.258	0.000
y	2.258	14.332	0.000
z	0.000	0.000	8.847

<r²>	276.939
(<r²>)^1/2	16.641

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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