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	hartrees
Energy at 0K	-1274.404023
Energy at 298.15K	-1274.410015
Nuclear repulsion energy	357.944461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3037	7.54
2	A	3154	3022	0.14
3	A	3067	2938	3.02
4	A	1508	1444	7.57
5	A	1490	1428	9.38
6	A	1378	1320	0.36
7	A	993	952	0.11
8	A	991	949	6.19
9	A	689	660	0.20
10	A	466	446	0.29
11	A	257	246	0.35
12	A	179	172	2.09
13	A	145	139	0.92
14	A	60	58	2.65
15	B	3170	3037	3.98
16	B	3154	3022	6.98
17	B	3067	2938	29.47
18	B	1507	1443	15.22
19	B	1490	1427	8.39
20	B	1380	1322	10.75
21	B	993	952	3.81
22	B	985	943	14.06
23	B	688	659	1.36
24	B	444	425	23.58
25	B	268	257	1.21
26	B	164	158	0.70
27	B	93	89	3.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.062
S2	0.000	1.699	-0.161
S3	0.000	-1.699	-0.161
C4	1.767	1.868	-0.623
C5	-1.767	-1.868	-0.623
H6	1.838	2.773	-1.235
H7	-1.838	-2.773	-1.235
H8	2.392	1.978	0.266
H9	2.091	1.008	-1.213
H10	-2.392	-1.978	0.266
H11	-2.091	-1.008	-1.213

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0938	2.0938	3.0738	3.0738	4.0423	4.0423	3.2039	3.2498	3.2039	3.2498
S2	2.0938		3.3989	1.8336	4.0077	2.3836	4.9530	2.4454	2.4404	4.4074	3.5787
S3	2.0938	3.3989		4.0077	1.8336	4.9530	2.3836	4.4074	3.5787	2.4454	2.4404
C4	3.0738	1.8336	4.0077		5.1423	1.0947	5.9081	1.0920	1.0925	5.7334	4.8476
C5	3.0738	4.0077	1.8336	5.1423		5.9081	1.0947	5.7334	4.8476	1.0920	1.0925
H6	4.0423	2.3836	4.9530	1.0947	5.9081		6.6532	1.7863	1.7832	6.5352	5.4523
H7	4.0423	4.9530	2.3836	5.9081	1.0947	6.6532		6.5352	5.4523	1.7863	1.7832
H8	3.2039	2.4454	4.4074	1.0920	5.7334	1.7863	6.5352		1.7940	6.2070	5.5851
H9	3.2498	2.4404	3.5787	1.0925	4.8476	1.7832	5.4523	1.7940		5.5851	4.6420
H10	3.2039	4.4074	2.4454	5.7334	1.0920	6.5352	1.7863	6.2070	5.5851		1.7940
H11	3.2498	3.5787	2.4404	4.8476	1.0925	5.4523	1.7832	5.5851	4.6420	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.806	S1	S3	C5	102.806
S2	S1	S3	108.517	S2	C4	H6	106.218
S2	C4	H8	110.853	S2	C4	H9	110.448
S3	C5	H7	106.218	S3	C5	H10	110.853
S3	C5	H11	110.448	H6	C4	H8	109.559
H6	C4	H9	109.239	H7	C5	H10	109.559
H7	C5	H11	109.239	H8	C4	H9	110.423
H10	C5	H11	110.423

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.032
3	S	0.032
4	C	-0.589
5	C	-0.589
6	H	0.190
7	H	0.190
8	H	0.197
9	H	0.201
10	H	0.197
11	H	0.201

	x	y	z
x	10.085	2.440	0.000
y	2.440	14.941	0.000
z	0.000	0.000	8.900

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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