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	hartrees
Energy at 0K	-44.285071
Energy at 298.15K	-44.291541
Nuclear repulsion energy	89.316005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3353	3011	32.36
2	A	3336	2996	4.64
3	A	3243	2912	11.88
4	A	1610	1445	6.41
5	A	1593	1430	6.60
6	A	1490	1338	2.77
7	A	1075	965	1.55
8	A	1065	956	2.13
9	A	770	691	0.10
10	A	540	485	0.19
11	A	285	256	0.88
12	A	203	182	2.15
13	A	167	150	1.07
14	A	67	60	3.36
15	B	3353	3011	15.04
16	B	3336	2995	30.77
17	B	3243	2912	87.80
18	B	1609	1445	10.74
19	B	1592	1430	7.54
20	B	1493	1341	28.03
21	B	1072	962	10.27
22	B	1063	954	4.25
23	B	769	691	5.68
24	B	564	506	7.67
25	B	290	261	1.43
26	B	190	171	0.52
27	B	97	87	3.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.078
S2	0.000	1.658	-0.163
S3	0.000	-1.658	-0.163
C4	1.759	1.801	-0.634
C5	-1.759	-1.801	-0.634
H6	1.832	2.686	-1.265
H7	-1.832	-2.686	-1.265
H8	2.381	1.928	0.248
H9	2.073	0.927	-1.198
H10	-2.381	-1.928	0.248
H11	-2.073	-0.927	-1.198

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0709	2.0709	3.0442	3.0442	4.0075	4.0075	3.1743	3.2153	3.1743	3.2153
S2	2.0709		3.3170	1.8265	3.9095	2.3723	4.8422	2.4312	2.4305	4.3246	3.4721
S3	2.0709	3.3170		3.9095	1.8265	4.8422	2.3723	4.3246	3.4721	2.4312	2.4305
C4	3.0442	1.8265	3.9095		5.0347	1.0896	5.7814	1.0867	1.0871	5.6412	4.7377
C5	3.0442	3.9095	1.8265	5.0347		5.7814	1.0896	5.6412	4.7377	1.0867	1.0871
H6	4.0075	2.3723	4.8422	1.0896	5.7814		6.5024	1.7794	1.7770	6.4288	5.3205
H7	4.0075	4.8422	2.3723	5.7814	1.0896	6.5024		6.4288	5.3205	1.7794	1.7770
H8	3.1743	2.4312	4.3246	1.0867	5.6412	1.7794	6.4288		1.7857	6.1277	5.4850
H9	3.2153	2.4305	3.4721	1.0871	4.7377	1.7770	5.3205	1.7857		5.4850	4.5423
H10	3.1743	4.3246	2.4312	5.6412	1.0867	6.4288	1.7794	6.1277	5.4850		1.7857
H11	3.2153	3.4721	2.4305	4.7377	1.0871	5.3205	1.7770	5.4850	4.5423	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.538	S1	S3	C5	102.538
S2	S1	S3	106.423	S2	C4	H6	106.108
S2	C4	H8	110.552	S2	C4	H9	110.483
S3	C5	H7	106.108	S3	C5	H10	110.552
S3	C5	H11	110.483	H6	C4	H8	109.689
H6	C4	H9	109.450	H7	C5	H10	109.689
H7	C5	H11	109.450	H8	C4	H9	110.461
H10	C5	H11	110.461

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

using model chemistry: HF/CEP-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	-0.063
2	S	-0.078
3	S	-0.078
4	C	-0.366
5	C	-0.366
6	H	0.149
7	H	0.149
8	H	0.162
9	H	0.164
10	H	0.162
11	H	0.164

	x	y	z
x	9.777	1.884	0.000
y	1.884	12.986	0.000
z	0.000	0.000	8.378

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-31G*

States and conformations

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