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	hartrees
Energy at 0K	-44.293851
Energy at 298.15K	-44.300337
Nuclear repulsion energy	89.438179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3321	3000	19.42
2	A	3304	2984	3.78
3	A	3209	2899	8.44
4	A	1613	1457	7.38
5	A	1597	1443	8.22
6	A	1494	1350	1.86
7	A	1077	973	1.22
8	A	1069	965	1.06
9	A	768	694	0.09
10	A	535	483	0.16
11	A	283	256	0.51
12	A	203	183	2.04
13	A	167	151	1.00
14	A	66	60	2.89
15	B	3321	3000	10.24
16	B	3303	2984	19.70
17	B	3209	2899	70.26
18	B	1612	1456	11.08
19	B	1597	1443	8.39
20	B	1496	1352	20.46
21	B	1074	970	8.74
22	B	1066	963	4.09
23	B	767	693	5.23
24	B	558	504	6.43
25	B	290	262	1.31
26	B	190	172	0.61
27	B	97	88	3.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.076
S2	0.000	1.659	-0.163
S3	0.000	-1.659	-0.163
C4	1.758	1.799	-0.632
C5	-1.758	-1.799	-0.632
H6	1.837	2.680	-1.259
H7	-1.837	-2.680	-1.259
H8	2.376	1.922	0.248
H9	2.070	0.928	-1.194
H10	-2.376	-1.922	0.248
H11	-2.070	-0.928	-1.194

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0711	2.0711	3.0400	3.0400	4.0014	4.0014	3.1664	3.2094	3.1664	3.2094
S2	2.0711		3.3181	1.8244	3.9070	2.3701	4.8377	2.4259	2.4253	4.3172	3.4701
S3	2.0711	3.3181		3.9070	1.8244	4.8377	2.3701	4.3172	3.4701	2.4259	2.4253
C4	3.0400	1.8244	3.9070		5.0299	1.0850	5.7771	1.0821	1.0823	5.6308	4.7336
C5	3.0400	3.9070	1.8244	5.0299		5.7771	1.0850	5.6308	4.7336	1.0821	1.0823
H6	4.0014	2.3701	4.8377	1.0850	5.7771		6.4985	1.7711	1.7687	6.4187	5.3190
H7	4.0014	4.8377	2.3701	5.7771	1.0850	6.4985		6.4187	5.3190	1.7711	1.7687
H8	3.1664	2.4259	4.3172	1.0821	5.6308	1.7711	6.4187		1.7772	6.1123	5.4748
H9	3.2094	2.4253	3.4701	1.0823	4.7336	1.7687	5.3190	1.7772		5.4748	4.5379
H10	3.1664	4.3172	2.4259	5.6308	1.0821	6.4187	1.7711	6.1123	5.4748		1.7772
H11	3.2094	3.4701	2.4253	4.7336	1.0823	5.3190	1.7687	5.4748	4.5379	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.406	S1	S3	C5	102.406
S2	S1	S3	106.466	S2	C4	H6	106.302
S2	C4	H8	110.541	S2	C4	H9	110.488
S3	C5	H7	106.302	S3	C5	H10	110.541
S3	C5	H11	110.488	H6	C4	H8	109.625
H6	C4	H9	109.395	H7	C5	H10	109.625
H7	C5	H11	109.395	H8	C4	H9	110.399
H10	C5	H11	110.399

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

using model chemistry: HF/CEP-121G*

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	-0.050
2	S	-0.032
3	S	-0.032
4	C	-0.530
5	C	-0.530
6	H	0.191
7	H	0.191
8	H	0.197
9	H	0.198
10	H	0.197
11	H	0.198

	x	y	z
x	10.608	2.094	0.000
y	2.094	13.898	0.000
z	0.000	0.000	9.413

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G*

States and conformations

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