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	hartrees
Energy at 0K	-1274.233668
Energy at 298.15K	-1274.239752
Nuclear repulsion energy	360.658945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3050	5.07
2	A	3167	3036	0.01
3	A	3067	2940	2.45
4	A	1485	1423	8.84
5	A	1467	1406	10.56
6	A	1360	1303	0.08
7	A	987	946	0.05
8	A	984	943	6.78
9	A	709	680	0.36
10	A	484	464	0.34
11	A	261	250	0.50
12	A	181	174	2.41
13	A	147	141	0.93
14	A	63	60	2.74
15	B	3182	3049	2.82
16	B	3167	3035	4.71
17	B	3067	2940	25.82
18	B	1484	1422	16.02
19	B	1467	1406	10.18
20	B	1362	1306	5.26
21	B	986	945	3.80
22	B	979	938	14.92
23	B	708	679	1.68
24	B	466	446	24.38
25	B	272	261	1.41
26	B	166	159	0.74
27	B	97	93	3.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.051
S2	0.000	1.685	-0.159
S3	0.000	-1.685	-0.159
C4	1.754	1.858	-0.616
C5	-1.754	-1.858	-0.616
H6	1.823	2.765	-1.222
H7	-1.823	-2.765	-1.222
H8	2.379	1.966	0.273
H9	2.081	1.003	-1.211
H10	-2.379	-1.966	0.273
H11	-2.081	-1.003	-1.211

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0745	2.0745	3.0502	3.0502	4.0173	4.0173	3.1822	3.2330	3.1822	3.2330
S2	2.0745		3.3699	1.8203	3.9793	2.3710	4.9254	2.4336	2.4291	4.3783	3.5583
S3	2.0745	3.3699		3.9793	1.8203	4.9254	2.3710	4.3783	3.5583	2.4336	2.4291
C4	3.0502	1.8203	3.9793		5.1096	1.0938	5.8767	1.0913	1.0919	5.6993	4.8210
C5	3.0502	3.9793	1.8203	5.1096		5.8767	1.0938	5.6993	4.8210	1.0913	1.0919
H6	4.0173	2.3710	4.9254	1.0938	5.8767		6.6246	1.7841	1.7808	6.5016	5.4261
H7	4.0173	4.9254	2.3710	5.8767	1.0938	6.6246		6.5016	5.4261	1.7841	1.7808
H8	3.1822	2.4336	4.3783	1.0913	5.6993	1.7841	6.5016		1.7936	6.1711	5.5587
H9	3.2330	2.4291	3.5583	1.0919	4.8210	1.7808	5.4261	1.7936		5.5587	4.6197
H10	3.1822	4.3783	2.4336	5.6993	1.0913	6.5016	1.7841	6.1711	5.5587		1.7936
H11	3.2330	3.5583	2.4291	4.8210	1.0919	5.4261	1.7808	5.5587	4.6197	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.906	S1	S3	C5	102.906
S2	S1	S3	108.630	S2	C4	H6	106.212
S2	C4	H8	110.914	S2	C4	H9	110.543
S3	C5	H7	106.212	S3	C5	H10	110.914
S3	C5	H11	110.543	H6	C4	H8	109.462
H6	C4	H9	109.123	H7	C5	H10	109.462
H7	C5	H11	109.123	H8	C4	H9	110.478
H10	C5	H11	110.478

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

using model chemistry: B3PW91/6-31G**

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	-0.065
2	S	0.037
3	S	0.037
4	C	-0.548
5	C	-0.548
6	H	0.176
7	H	0.176
8	H	0.183
9	H	0.185
10	H	0.183
11	H	0.185

	x	y	z
x	10.090	2.401	0.000
y	2.401	14.793	0.000
z	0.000	0.000	8.906

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31G**

States and conformations

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