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	hartrees
Energy at 0K	-45.362135
Energy at 298.15K	-45.368074
Nuclear repulsion energy	87.690997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3162	3054	22.53
2	A	3145	3037	1.63
3	A	3055	2951	7.22
4	A	1476	1425	8.44
5	A	1458	1408	10.63
6	A	1346	1299	0.68
7	A	970	936	1.28
8	A	965	932	8.27
9	A	681	658	0.18
10	A	468	452	0.24
11	A	252	244	0.36
12	A	176	170	1.99
13	A	143	138	1.01
14	A	61	59	2.89
15	B	3162	3054	9.30
16	B	3144	3037	19.79
17	B	3055	2950	52.34
18	B	1475	1424	14.40
19	B	1458	1408	10.09
20	B	1348	1302	12.01
21	B	968	935	5.62
22	B	960	927	14.04
23	B	680	657	1.55
24	B	447	431	27.85
25	B	264	255	0.87
26	B	164	158	0.65
27	B	93	89	3.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.075
S2	0.000	1.710	-0.161
S3	0.000	-1.710	-0.161
C4	1.782	1.870	-0.633
C5	-1.782	-1.870	-0.633
H6	1.851	2.780	-1.254
H7	-1.851	-2.780	-1.254
H8	2.412	1.982	0.262
H9	2.099	0.998	-1.225
H10	-2.412	-1.982	0.262
H11	-2.099	-0.998	-1.225

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1097	2.1097	3.0969	3.0969	4.0718	4.0718	3.2259	3.2696	3.2259	3.2696
S2	2.1097		3.4192	1.8504	4.0265	2.4016	4.9777	2.4639	2.4587	4.4299	3.5870
S3	2.1097	3.4192		4.0265	1.8504	4.9777	2.4016	4.4299	3.5870	2.4639	2.4587
C4	3.0969	1.8504	4.0265		5.1663	1.1036	5.9337	1.1003	1.1009	5.7644	4.8619
C5	3.0969	4.0265	1.8504	5.1663		5.9337	1.1036	5.7644	4.8619	1.1003	1.1009
H6	4.0718	2.4016	4.9777	1.1036	5.9337		6.6800	1.8026	1.7998	6.5688	5.4662
H7	4.0718	4.9777	2.4016	5.9337	1.1036	6.6800		6.5688	5.4662	1.8026	1.7998
H8	3.2259	2.4639	4.4299	1.1003	5.7644	1.8026	6.5688		1.8099	6.2436	5.6071
H9	3.2696	2.4587	3.5870	1.1009	4.8619	1.7998	5.4662	1.8099		5.6071	4.6488
H10	3.2259	4.4299	2.4639	5.7644	1.1003	6.5688	1.8026	6.2436	5.6071		1.8099
H11	3.2696	3.5870	2.4587	4.8619	1.1009	5.4662	1.7998	5.6071	4.6488	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.698	S1	S3	C5	102.698
S2	S1	S3	108.263	S2	C4	H6	106.002
S2	C4	H8	110.653	S2	C4	H9	110.244
S3	C5	H7	106.002	S3	C5	H10	110.653
S3	C5	H11	110.244	H6	C4	H8	109.749
H6	C4	H9	109.459	H7	C5	H10	109.749
H7	C5	H11	109.459	H8	C4	H9	110.624
H10	C5	H11	110.624

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

using model chemistry: B3LYP/CEP-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	-0.070
3	S	-0.070
4	C	-0.485
5	C	-0.485
6	H	0.184
7	H	0.184
8	H	0.201
9	H	0.202
10	H	0.201
11	H	0.202

	x	y	z
x	10.557	2.357	0.000
y	2.357	14.981	0.000
z	0.000	0.000	8.796

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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