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	hartrees
Energy at 0K	-1274.587002
Energy at 298.15K	-1274.593181
Nuclear repulsion energy	366.048664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3036	5.58
2	A	3158	3022	0.06
3	A	3066	2935	3.87
4	A	1477	1413	7.06
5	A	1459	1397	8.50
6	A	1339	1281	0.29
7	A	976	934	0.06
8	A	969	928	3.52
9	A	718	687	0.34
10	A	506	484	0.11
11	A	266	255	0.17
12	A	180	172	1.73
13	A	152	146	0.52
14	A	64	61	2.10
15	B	3172	3036	3.14
16	B	3157	3022	5.42
17	B	3066	2934	30.93
18	B	1476	1412	10.45
19	B	1459	1396	9.47
20	B	1341	1283	7.03
21	B	972	931	0.97
22	B	968	926	11.98
23	B	716	685	1.52
24	B	489	468	19.21
25	B	274	262	0.74
26	B	170	163	0.67
27	B	100	96	3.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.064
S2	0.000	1.648	-0.154
S3	0.000	-1.648	-0.154
C4	1.736	1.769	-0.635
C5	-1.736	-1.769	-0.635
H6	1.817	2.642	-1.279
H7	-1.817	-2.642	-1.279
H8	2.367	1.899	0.238
H9	2.030	0.884	-1.192
H10	-2.367	-1.899	0.238
H11	-2.030	-0.884	-1.192

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0494	2.0494	3.0052	3.0052	3.9715	3.9715	3.1446	3.1611	3.1446	3.1611
S2	2.0494		3.2958	1.8056	3.8626	2.3571	4.7927	2.4120	2.4043	4.2816	3.4072
S3	2.0494	3.2958		3.8626	1.8056	4.7927	2.3571	4.2816	3.4072	2.4120	2.4043
C4	3.0052	1.8056	3.8626		4.9570	1.0877	5.7005	1.0848	1.0857	5.5718	4.6403
C5	3.0052	3.8626	1.8056	4.9570		5.7005	1.0877	5.5718	4.6403	1.0848	1.0857
H6	3.9715	2.3571	4.7927	1.0877	5.7005		6.4132	1.7762	1.7726	6.3579	5.2195
H7	3.9715	4.7927	2.3571	5.7005	1.0877	6.4132		6.3579	5.2195	1.7762	1.7726
H8	3.1446	2.4120	4.2816	1.0848	5.5718	1.7762	6.3579		1.7850	6.0682	5.3961
H9	3.1611	2.4043	3.4072	1.0857	4.6403	1.7726	5.2195	1.7850		5.3961	4.4284
H10	3.1446	4.2816	2.4120	5.5718	1.0848	6.3579	1.7762	6.0682	5.3961		1.7850
H11	3.1611	3.4072	2.4043	4.6403	1.0857	5.2195	1.7726	5.3961	4.4284	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.254	S1	S3	C5	102.254
S2	S1	S3	107.042	S2	C4	H6	106.451
S2	C4	H8	110.640	S2	C4	H9	110.012
S3	C5	H7	106.451	S3	C5	H10	110.640
S3	C5	H11	110.012	H6	C4	H8	109.688
H6	C4	H9	109.295	H7	C5	H10	109.688
H7	C5	H11	109.295	H8	C4	H9	110.658
H10	C5	H11	110.658

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

using model chemistry: B1B95/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	-0.061
2	S	-0.049
3	S	-0.049
4	C	-0.327
5	C	-0.327
6	H	0.125
7	H	0.125
8	H	0.140
9	H	0.141
10	H	0.140
11	H	0.141

	x	y	z
x	11.904	2.530	0.000
y	2.530	15.441	0.000
z	0.000	0.000	10.182

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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