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	hartrees
Energy at 0K	-1274.443755
Energy at 298.15K	-1274.449521
Nuclear repulsion energy	354.630064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3067	3057	9.28
2	A	3049	3040	0.36
3	A	2972	2963	3.78
4	A	1442	1438	5.08
5	A	1425	1420	8.33
6	A	1297	1294	0.68
7	A	940	937	0.02
8	A	937	934	3.56
9	A	636	634	0.49
10	A	438	436	0.02
11	A	242	241	0.05
12	A	167	166	1.49
13	A	132	131	0.28
14	A	62	62	2.07
15	B	3066	3057	3.84
16	B	3049	3040	9.06
17	B	2971	2962	35.86
18	B	1442	1438	11.76
19	B	1424	1420	6.44
20	B	1298	1295	13.54
21	B	940	937	1.15
22	B	931	928	9.88
23	B	634	633	1.95
24	B	396	395	30.95
25	B	260	259	0.44
26	B	146	146	0.50
27	B	94	94	2.91

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.055
S2	0.000	1.720	-0.164
S3	0.000	-1.720	-0.164
C4	1.782	1.928	-0.613
C5	-1.782	-1.928	-0.613
H6	1.837	2.850	-1.204
H7	-1.837	-2.850	-1.204
H8	2.394	2.026	0.286
H9	2.118	1.083	-1.221
H10	-2.394	-2.026	0.286
H11	-2.118	-1.083	-1.221

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1078	2.1078	3.1103	3.1103	4.0738	4.0738	3.2296	3.2921	3.2296	3.2921
S2	2.1078		3.4401	1.8496	4.0846	2.3944	5.0338	2.4555	2.4512	4.4690	3.6691
S3	2.1078	3.4401		4.0846	1.8496	5.0338	2.3944	4.4690	3.6691	2.4555	2.4512
C4	3.1103	1.8496	4.0846		5.2504	1.0962	6.0225	1.0928	1.0932	5.8213	4.9643
C5	3.1103	4.0846	1.8496	5.2504		6.0225	1.0962	5.8213	4.9643	1.0928	1.0932
H6	4.0738	2.3944	5.0338	1.0962	6.0225		6.7811	1.7912	1.7885	6.6260	5.5776
H7	4.0738	5.0338	2.3944	6.0225	1.0962	6.7811		6.6260	5.5776	1.7912	1.7885
H8	3.2296	2.4555	4.4690	1.0928	5.8213	1.7912	6.6260		1.7996	6.2737	5.6836
H9	3.2921	2.4512	3.6691	1.0932	4.9643	1.7885	5.5776	1.7996		5.6836	4.7574
H10	3.2296	4.4690	2.4555	5.8213	1.0928	6.6260	1.7912	6.2737	5.6836		1.7996
H11	3.2921	3.6691	2.4512	4.9643	1.0932	5.5776	1.7885	5.6836	4.7574	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.425	S1	S3	C5	103.425
S2	S1	S3	109.386	S2	C4	H6	105.895
S2	C4	H8	110.478	S2	C4	H9	110.141
S3	C5	H7	105.895	S3	C5	H10	110.478
S3	C5	H11	110.141	H6	C4	H8	109.829
H6	C4	H9	109.556	H7	C5	H10	109.829
H7	C5	H11	109.556	H8	C4	H9	110.822
H10	C5	H11	110.822

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

using model chemistry: BLYP/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	-0.063
2	S	-0.036
3	S	-0.036
4	C	-0.265
5	C	-0.265
6	H	0.101
7	H	0.101
8	H	0.114
9	H	0.118
10	H	0.114
11	H	0.118

	x	y	z
x	12.714	3.174	0.000
y	3.174	17.544	0.000
z	0.000	0.000	10.537

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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