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	hartrees
Energy at 0K	-1267.904443
Energy at 298.15K	-1267.910271
Nuclear repulsion energy	347.580156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3084	0.76
2	A	3183	3060	0.20
3	A	3084	2964	1.47
4	A	1530	1470	19.11
5	A	1516	1457	9.72
6	A	1386	1332	0.03
7	A	1007	968	0.33
8	A	1001	962	7.64
9	A	650	625	0.00
10	A	425	409	0.17
11	A	237	228	0.00
12	A	181	174	0.28
13	A	137	131	3.35
14	A	48	46	2.21
15	B	3208	3084	2.90
16	B	3183	3060	1.03
17	B	3083	2964	12.19
18	B	1527	1468	13.53
19	B	1515	1457	22.86
20	B	1389	1335	6.18
21	B	1004	965	9.83
22	B	1000	962	11.49
23	B	648	623	4.43
24	B	402	386	14.61
25	B	232	223	0.79
26	B	185	178	0.85
27	B	83	80	6.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.264
S2	0.000	1.746	-0.168
S3	0.000	-1.746	-0.168
C4	1.778	1.585	-0.783
C5	-1.778	-1.585	-0.783
H6	1.894	2.338	-1.568
H7	-1.894	-2.338	-1.568
H8	2.464	1.774	0.042
H9	1.906	0.582	-1.195
H10	-2.464	-1.774	0.042
H11	-1.906	-0.582	-1.195

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2585	2.2585	3.1413	3.1413	4.1322	4.1322	3.2729	3.1650	3.2729	3.1650
S2	2.2585		3.4920	1.8882	3.8260	2.4283	4.7143	2.4734	2.4578	4.3016	3.1788
S3	2.2585	3.4920		3.8260	1.8882	4.7143	2.4283	4.3016	3.1788	2.4734	2.4578
C4	3.1413	1.8882	3.8260		4.7643	1.0934	5.4305	1.0898	1.0920	5.4736	4.2939
C5	3.1413	3.8260	1.8882	4.7643		5.4305	1.0934	5.4736	4.2939	1.0898	1.0920
H6	4.1322	2.4283	4.7143	1.0934	5.4305		6.0174	1.7991	1.7953	6.2040	4.8066
H7	4.1322	4.7143	2.4283	5.4305	1.0934	6.0174		6.2040	4.8066	1.7991	1.7953
H8	3.2729	2.4734	4.3016	1.0898	5.4736	1.7991	6.2040		1.8057	6.0723	5.1162
H9	3.1650	2.4578	3.1788	1.0920	4.2939	1.7953	4.8066	1.8057		5.1162	3.9855
H10	3.2729	4.3016	2.4734	5.4736	1.0898	6.2040	1.7991	6.0723	5.1162		1.8057
H11	3.1650	3.1788	2.4578	4.2939	1.0920	4.8066	1.7953	5.1162	3.9855	1.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	98.098	S1	S3	C5	98.098
S2	S1	S3	101.263	S2	C4	H6	105.966
S2	C4	H8	109.369	S2	C4	H9	108.128
S3	C5	H7	105.966	S3	C5	H10	109.369
S3	C5	H11	108.128	H6	C4	H8	110.982
H6	C4	H9	110.469	H7	C5	H10	110.982
H7	C5	H11	110.469	H8	C4	H9	111.717
H10	C5	H11	111.717

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

using model chemistry: B3PW91/3-21G

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	0.090
3	S	0.090
4	C	-0.870
5	C	-0.870
6	H	0.263
7	H	0.263
8	H	0.270
9	H	0.279
10	H	0.270
11	H	0.279

	x	y	z
x	9.569	2.017	0.000
y	2.017	14.636	0.000
z	0.000	0.000	9.411

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/3-21G

States and conformations

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