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	hartrees
Energy at 0K	-1274.589168
Energy at 298.15K	-1274.595331
Nuclear repulsion energy	366.023314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3040	4.58
2	A	3157	3026	0.07
3	A	3066	2939	3.71
4	A	1476	1414	6.88
5	A	1458	1397	9.05
6	A	1336	1281	0.25
7	A	975	934	0.05
8	A	969	929	2.55
9	A	718	688	0.29
10	A	505	484	0.11
11	A	265	254	0.13
12	A	180	172	1.62
13	A	151	144	0.61
14	A	63	60	2.08
15	B	3172	3040	2.63
16	B	3157	3026	4.63
17	B	3066	2939	29.96
18	B	1475	1414	10.46
19	B	1457	1397	9.20
20	B	1338	1282	6.50
21	B	972	932	0.65
22	B	966	926	10.76
23	B	716	686	1.30
24	B	488	468	19.11
25	B	273	262	0.81
26	B	169	162	0.50
27	B	98	94	3.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.063
S2	0.000	1.648	-0.156
S3	0.000	-1.648	-0.156
C4	1.737	1.772	-0.632
C5	-1.737	-1.772	-0.632
H6	1.818	2.646	-1.274
H7	-1.818	-2.646	-1.274
H8	2.364	1.901	0.243
H9	2.033	0.889	-1.190
H10	-2.364	-1.901	0.243
H11	-2.033	-0.889	-1.190

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0495	2.0495	3.0053	3.0053	3.9713	3.9713	3.1431	3.1619	3.1431	3.1619
S2	2.0495		3.2956	1.8054	3.8650	2.3564	4.7952	2.4111	2.4039	4.2832	3.4111
S3	2.0495	3.2956		3.8650	1.8054	4.7952	2.3564	4.2832	3.4111	2.4111	2.4039
C4	3.0053	1.8054	3.8650		4.9624	1.0877	5.7067	1.0847	1.0855	5.5749	4.6476
C5	3.0053	3.8650	1.8054	4.9624		5.7067	1.0877	5.5749	4.6476	1.0847	1.0855
H6	3.9713	2.3564	4.7952	1.0877	5.7067		6.4208	1.7763	1.7728	6.3618	5.2278
H7	3.9713	4.7952	2.3564	5.7067	1.0877	6.4208		6.3618	5.2278	1.7763	1.7728
H8	3.1431	2.4111	4.2832	1.0847	5.5749	1.7763	6.3618		1.7851	6.0682	5.4012
H9	3.1619	2.4039	3.4111	1.0855	4.6476	1.7728	5.2278	1.7851		5.4012	4.4375
H10	3.1431	4.2832	2.4111	5.5749	1.0847	6.3618	1.7763	6.0682	5.4012		1.7851
H11	3.1619	3.4111	2.4039	4.6476	1.0855	5.2278	1.7728	5.4012	4.4375	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.260	S1	S3	C5	102.260
S2	S1	S3	107.024	S2	C4	H6	106.422
S2	C4	H8	110.592	S2	C4	H9	110.005
S3	C5	H7	106.422	S3	C5	H10	110.592
S3	C5	H11	110.005	H6	C4	H8	109.708
H6	C4	H9	109.326	H7	C5	H10	109.708
H7	C5	H11	109.326	H8	C4	H9	110.689
H10	C5	H11	110.689

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

using model chemistry: B1B95/aug-cc-pVTZ

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	-0.125
2	S	-0.037
3	S	-0.037
4	C	-0.859
5	C	-0.859
6	H	0.293
7	H	0.293
8	H	0.335
9	H	0.331
10	H	0.335
11	H	0.331

	x	y	z
x	13.131	2.402	0.000
y	2.402	16.849	0.000
z	0.000	0.000	11.637

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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