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	hartrees
Energy at 0K	-1272.559979
Energy at 298.15K	-1272.566291
Nuclear repulsion energy	363.538068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3024	8.56
2	A	3156	3014	0.26
3	A	3064	2926	3.69
4	A	1509	1441	11.39
5	A	1493	1426	8.75
6	A	1419	1356	0.09
7	A	1025	979	4.28
8	A	1023	977	4.06
9	A	745	711	0.09
10	A	484	462	0.41
11	A	273	261	0.28
12	A	205	195	1.15
13	A	165	158	2.01
14	A	64	61	2.37
15	B	3166	3024	4.03
16	B	3155	3014	8.60
17	B	3063	2926	32.99
18	B	1507	1440	13.76
19	B	1493	1426	12.65
20	B	1421	1358	2.19
21	B	1025	979	1.97
22	B	1018	972	22.02
23	B	744	710	1.49
24	B	488	466	9.54
25	B	281	268	1.19
26	B	200	191	0.77
27	B	93	89	3.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.084
S2	0.000	1.662	-0.167
S3	0.000	-1.662	-0.167
C4	1.750	1.734	-0.631
C5	-1.750	-1.734	-0.631
H6	1.877	2.611	-1.272
H7	-1.877	-2.611	-1.272
H8	2.382	1.838	0.253
H9	2.037	0.840	-1.191
H10	-2.382	-1.838	0.253
H11	-2.037	-0.840	-1.191

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0802	2.0802	3.0018	3.0018	3.9865	3.9865	3.1213	3.1668	3.1213	3.1668
S2	2.0802		3.3238	1.8121	3.8480	2.3758	4.7961	2.4248	2.4230	4.2545	3.3848
S3	2.0802	3.3238		3.8480	1.8121	4.7961	2.3758	4.2545	3.3848	2.4248	2.4230
C4	3.0018	1.8121	3.8480		4.9266	1.0940	5.6957	1.0916	1.0923	5.5328	4.6126
C5	3.0018	3.8480	1.8121	4.9266		5.6957	1.0940	5.5328	4.6126	1.0916	1.0923
H6	3.9865	2.3758	4.7961	1.0940	5.6957		6.4314	1.7825	1.7800	6.3449	5.2185
H7	3.9865	4.7961	2.3758	5.6957	1.0940	6.4314		6.3449	5.2185	1.7825	1.7800
H8	3.1213	2.4248	4.2545	1.0916	5.5328	1.7825	6.3449		1.7888	6.0173	5.3647
H9	3.1668	2.4230	3.3848	1.0923	4.6126	1.7800	5.2185	1.7888		5.3647	4.4062
H10	3.1213	4.2545	2.4248	5.5328	1.0916	6.3449	1.7825	6.0173	5.3647		1.7888
H11	3.1668	3.3848	2.4230	4.6126	1.0923	5.2185	1.7800	5.3647	4.4062	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.702	S1	S3	C5	100.702
S2	S1	S3	106.055	S2	C4	H6	107.075
S2	C4	H8	110.790	S2	C4	H9	110.624
S3	C5	H7	107.075	S3	C5	H10	110.790
S3	C5	H11	110.624	H6	C4	H8	109.285
H6	C4	H9	109.013	H7	C5	H10	109.285
H7	C5	H11	109.013	H8	C4	H9	109.985
H10	C5	H11	109.985

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

using model chemistry: CCD/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH3SSSCH3 (dimethyl trisulfide)

using model chemistry: CCD/6-311G*

States and conformations

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