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	hartrees
Energy at 0K	-1274.371429
Energy at 298.15K	-1274.377512
Nuclear repulsion energy	362.851941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3032	5.60
2	A	3137	3017	0.09
3	A	3047	2930	3.34
4	A	1470	1413	6.60
5	A	1451	1395	9.51
6	A	1332	1281	0.30
7	A	970	932	0.19
8	A	966	929	3.83
9	A	705	678	0.42
10	A	492	473	0.11
11	A	260	250	0.14
12	A	179	172	1.91
13	A	143	137	0.40
14	A	62	60	2.26
15	B	3153	3031	2.63
16	B	3137	3016	5.57
17	B	3047	2930	30.73
18	B	1469	1413	12.13
19	B	1451	1395	8.46
20	B	1333	1282	7.55
21	B	969	931	2.02
22	B	961	924	10.99
23	B	703	676	1.72
24	B	472	454	22.41
25	B	274	263	0.69
26	B	158	152	0.53
27	B	97	93	3.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.050
S2	0.000	1.668	-0.160
S3	0.000	-1.668	-0.160
C4	1.748	1.842	-0.614
C5	-1.748	-1.842	-0.614
H6	1.815	2.742	-1.227
H7	-1.815	-2.742	-1.227
H8	2.366	1.958	0.274
H9	2.073	0.983	-1.199
H10	-2.366	-1.958	0.274
H11	-2.073	-0.983	-1.199

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0609	2.0609	3.0360	3.0360	3.9998	3.9998	3.1675	3.2129	3.1675	3.2129
S2	2.0609		3.3358	1.8143	3.9470	2.3635	4.8864	2.4227	2.4178	4.3511	3.5221
S3	2.0609	3.3358		3.9470	1.8143	4.8864	2.3635	4.3511	3.5221	2.4227	2.4178
C4	3.0360	1.8143	3.9470		5.0783	1.0910	5.8378	1.0880	1.0885	5.6700	4.7879
C5	3.0360	3.9470	1.8143	5.0783		5.8378	1.0910	5.6700	4.7879	1.0880	1.0885
H6	3.9998	2.3635	4.8864	1.0910	5.8378		6.5763	1.7806	1.7776	6.4669	5.3848
H7	3.9998	4.8864	2.3635	5.8378	1.0910	6.5763		6.4669	5.3848	1.7806	1.7776
H8	3.1675	2.4227	4.3511	1.0880	5.6700	1.7806	6.4669		1.7901	6.1418	5.5249
H9	3.2129	2.4178	3.5221	1.0885	4.7879	1.7776	5.3848	1.7901		5.5249	4.5893
H10	3.1675	4.3511	2.4227	5.6700	1.0880	6.4669	1.7806	6.1418	5.5249		1.7901
H11	3.2129	3.5221	2.4178	4.7879	1.0885	5.3848	1.7776	5.5249	4.5893	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.969	S1	S3	C5	102.969
S2	S1	S3	108.056	S2	C4	H6	106.194
S2	C4	H8	110.682	S2	C4	H9	110.288
S3	C5	H7	106.194	S3	C5	H10	110.682
S3	C5	H11	110.288	H6	C4	H8	109.604
H6	C4	H9	109.293	H7	C5	H10	109.604
H7	C5	H11	109.293	H8	C4	H9	110.671
H10	C5	H11	110.671

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

using model chemistry: B3PW91/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	-0.065
2	S	-0.055
3	S	-0.055
4	C	-0.251
5	C	-0.251
6	H	0.102
7	H	0.102
8	H	0.117
9	H	0.119
10	H	0.117
11	H	0.119

	x	y	z
x	12.016	2.675	0.000
y	2.675	15.963	0.000
z	0.000	0.000	10.191

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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