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	hartrees
Energy at 0K	-1259.574698
Energy at 298.15K	-1259.580531
Nuclear repulsion energy	357.617219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3398	3104	0.12
2	A	3378	3086	5.32
3	A	3214	2937	0.26
4	A	1641	1500	4.63
5	A	1626	1486	5.52
6	A	1488	1359	1.32
7	A	1034	945	0.13
8	A	1032	943	4.11
9	A	799	730	0.85
10	A	557	509	0.53
11	A	262	239	0.92
12	A	181	166	1.31
13	A	136	124	0.01
14	A	58	53	0.49
15	B	3398	3104	2.72
16	B	3378	3086	2.76
17	B	3214	2936	8.37
18	B	1641	1499	11.13
19	B	1626	1486	5.47
20	B	1485	1357	26.74
21	B	1034	945	5.67
22	B	1029	940	8.73
23	B	795	727	1.74
24	B	525	480	21.39
25	B	279	255	1.03
26	B	144	132	0.19
27	B	83	76	0.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.083
S2	0.000	1.679	-0.204
S3	0.000	-1.679	-0.204
C4	1.797	1.804	-0.570
C5	-1.797	-1.804	-0.570
H6	1.949	2.678	-1.231
H7	-1.949	-2.678	-1.231
H8	2.402	1.953	0.346
H9	2.176	0.905	-1.096
H10	-2.402	-1.953	0.346
H11	-2.176	-0.905	-1.096

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1159	2.1159	3.0357	3.0357	4.0404	4.0404	3.1825	3.2100	3.1825	3.2100
S2	2.1159		3.3581	1.8379	3.9363	2.4185	4.8824	2.4798	2.4755	4.3892	3.4941
S3	2.1159	3.3581		3.9363	1.8379	4.8824	2.4185	4.3892	3.4941	2.4798	2.4755
C4	3.0357	1.8379	3.9363		5.0926	1.1065	5.8786	1.1078	1.1084	5.7085	4.8374
C5	3.0357	3.9363	1.8379	5.0926		5.8786	1.1065	5.7085	4.8374	1.1078	1.1084
H6	4.0404	2.4185	4.8824	1.1065	5.8786		6.6245	1.7939	1.7926	6.5472	5.4655
H7	4.0404	4.8824	2.4185	5.8786	1.1065	6.6245		6.5472	5.4655	1.7939	1.7926
H8	3.1825	2.4798	4.3892	1.1078	5.7085	1.7939	6.5472		1.7968	6.1919	5.5865
H9	3.2100	2.4755	3.4941	1.1084	4.8374	1.7926	5.4655	1.7968		5.5865	4.7133
H10	3.1825	4.3892	2.4798	5.7085	1.1078	6.5472	1.7939	6.1919	5.5865		1.7968
H11	3.2100	3.4941	2.4755	4.8374	1.1084	5.4655	1.7926	5.5865	4.7133	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.074	S1	S3	C5	100.074
S2	S1	S3	105.033	S2	C4	H6	107.853
S2	C4	H8	112.285	S2	C4	H9	111.931
S3	C5	H7	107.853	S3	C5	H10	112.285
S3	C5	H11	111.931	H6	C4	H8	108.222
H6	C4	H9	108.059	H7	C5	H10	108.222
H7	C5	H11	108.059	H8	C4	H9	108.344
H10	C5	H11	108.344

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

using model chemistry: PBEPBE/STO-3G

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	-0.008
2	S	0.069
3	S	0.069
4	C	-0.317
5	C	-0.317
6	H	0.087
7	H	0.087
8	H	0.083
9	H	0.082
10	H	0.083
11	H	0.082

	x	y	z
x	5.179	2.029	0.000
y	2.029	8.396	0.000
z	0.000	0.000	4.011

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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