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	hartrees
Energy at 0K	-1271.896019
Energy at 298.15K	-1271.902514
HF Energy	-1271.896019
Nuclear repulsion energy	366.019878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	2976	11.35
2	A	3265	2959	1.63
3	A	3183	2885	6.53
4	A	1601	1451	5.80
5	A	1581	1433	9.05
6	A	1475	1337	1.25
7	A	1065	966	1.02
8	A	1058	959	1.40
9	A	760	689	0.01
10	A	530	480	0.16
11	A	288	261	0.34
12	A	204	185	1.88
13	A	166	150	0.59
14	A	68	62	2.68
15	B	3283	2976	5.56
16	B	3265	2959	12.39
17	B	3183	2885	47.64
18	B	1600	1450	10.86
19	B	1581	1433	7.71
20	B	1476	1338	13.31
21	B	1063	963	6.24
22	B	1055	956	5.65
23	B	759	688	2.58
24	B	549	498	7.21
25	B	296	269	0.89
26	B	187	170	0.43
27	B	101	92	3.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.999
S2	0.000	1.660	-0.118
S3	0.000	-1.660	-0.118
C4	1.692	1.900	-0.639
C5	-1.692	-1.900	-0.639
H6	1.735	2.918	-1.016
H7	-1.735	-2.918	-1.016
H8	2.393	1.802	0.182
H9	1.980	1.225	-1.437
H10	-2.393	-1.802	0.182
H11	-1.980	-1.225	-1.437

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0006	2.0006	3.0260	3.0260	3.9476	3.9476	3.1050	3.3694	3.1050	3.3694
S2	2.0006		3.3198	1.7867	3.9761	2.3235	4.9773	2.4161	2.4187	4.2193	3.7391
S3	2.0006	3.3198		3.9761	1.7867	4.9773	2.3235	4.2193	3.7391	2.4161	2.4187
C4	3.0260	1.7867	3.9761		5.0888	1.0862	5.9246	1.0844	1.0843	5.5741	4.8874
C5	3.0260	3.9761	1.7867	5.0888		5.9246	1.0862	5.5741	4.8874	1.0844	1.0843
H6	3.9476	2.3235	4.9773	1.0862	5.9246		6.7895	1.7649	1.7621	6.3840	5.5804
H7	3.9476	4.9773	2.3235	5.9246	1.0862	6.7895		6.3840	5.5804	1.7649	1.7621
H8	3.1050	2.4161	4.2193	1.0844	5.5741	1.7649	6.3840		1.7678	5.9915	5.5596
H9	3.3694	2.4187	3.7391	1.0843	4.8874	1.7621	5.5804	1.7678		5.5596	4.6568
H10	3.1050	4.2193	2.4161	5.5741	1.0844	6.3840	1.7649	5.9915	5.5596		1.7678
H11	3.3694	3.7391	2.4187	4.8874	1.0843	5.5804	1.7621	5.5596	4.6568	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	105.926	S1	S3	C5	105.926
S2	S1	S3	112.133	S2	C4	H6	105.335
S2	C4	H8	112.285	S2	C4	H9	112.488
S3	C5	H7	105.335	S3	C5	H10	112.285
S3	C5	H11	112.488	H6	C4	H8	108.800
H6	C4	H9	108.550	H7	C5	H10	108.800
H7	C5	H11	108.550	H8	C4	H9	109.202
H10	C5	H11	109.202

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

using model chemistry: HF/Def2TZVPP

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	-0.079
2	S	-0.045
3	S	-0.045
4	C	-0.185
5	C	-0.185
6	H	0.089
7	H	0.089
8	H	0.090
9	H	0.091
10	H	0.090
11	H	0.091

	x	y	z
x	11.362	2.201	0.000
y	2.201	14.510	0.000
z	0.000	0.000	9.944

<r²>	272.826
(<r²>)^1/2	16.517

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

using model chemistry: HF/Def2TZVPP

States and conformations

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