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	hartrees
Energy at 0K	-1274.542689
Energy at 298.15K	-1274.548725
HF Energy	-1274.542689
Nuclear repulsion energy	361.576310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3023	7.36
2	A	3124	3008	0.26
3	A	3042	2928	3.92
4	A	1479	1424	6.11
5	A	1460	1405	9.34
6	A	1343	1292	0.46
7	A	972	936	0.07
8	A	969	932	3.29
9	A	687	661	0.34
10	A	475	457	0.10
11	A	260	250	0.12
12	A	180	173	1.69
13	A	143	138	0.34
14	A	64	61	2.17
15	B	3141	3023	3.11
16	B	3124	3007	7.39
17	B	3042	2928	33.85
18	B	1478	1423	12.10
19	B	1460	1405	8.04
20	B	1344	1294	8.89
21	B	971	935	1.54
22	B	963	927	10.04
23	B	685	660	1.37
24	B	452	435	21.90
25	B	275	265	0.62
26	B	160	154	0.51
27	B	98	95	3.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.985
S2	0.000	1.687	-0.110
S3	0.000	-1.687	-0.110
C4	1.695	1.957	-0.639
C5	-1.695	-1.957	-0.639
H6	1.730	2.989	-0.999
H7	-1.730	-2.989	-0.999
H8	2.409	1.848	0.179
H9	1.989	1.298	-1.458
H10	-2.409	-1.848	0.179
H11	-1.989	-1.298	-1.458

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0118	2.0118	3.0567	3.0567	3.9828	3.9828	3.1413	3.4076	3.1413	3.4076
S2	2.0118		3.3742	1.7962	4.0538	2.3402	5.0641	2.4315	2.4336	4.2879	3.8319
S3	2.0118	3.3742		4.0538	1.7962	5.0641	2.3402	4.2879	3.8319	2.4315	2.4336
C4	3.0567	1.7962	4.0538		5.1782	1.0929	6.0267	1.0917	1.0913	5.6563	4.9836
C5	3.0567	4.0538	1.7962	5.1782		6.0267	1.0929	5.6563	4.9836	1.0917	1.0913
H6	3.9828	2.3402	5.0641	1.0929	6.0267		6.9066	1.7745	1.7707	6.4742	5.6935
H7	3.9828	5.0641	2.3402	6.0267	1.0929	6.9066		6.4742	5.6935	1.7745	1.7707
H8	3.1413	2.4315	4.2879	1.0917	5.6563	1.7745	6.4742		1.7783	6.0724	5.6497
H9	3.4076	2.4336	3.8319	1.0913	4.9836	1.7707	5.6935	1.7783		5.6497	4.7495
H10	3.1413	4.2879	2.4315	5.6563	1.0917	6.4742	1.7745	6.0724	5.6497		1.7783
H11	3.4076	3.8319	2.4336	4.9836	1.0913	5.6935	1.7707	5.6497	4.7495	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	106.647	S1	S3	C5	106.647
S2	S1	S3	113.989	S2	C4	H6	105.605
S2	C4	H8	112.395	S2	C4	H9	112.581
S3	C5	H7	105.605	S3	C5	H10	112.395
S3	C5	H11	112.581	H6	C4	H8	108.643
H6	C4	H9	108.328	H7	C5	H10	108.643
H7	C5	H11	108.328	H8	C4	H9	109.097
H10	C5	H11	109.097

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.068
2	S	-0.062
3	S	-0.062
4	C	-0.271
5	C	-0.271
6	H	0.116
7	H	0.116
8	H	0.124
9	H	0.127
10	H	0.124
11	H	0.127

	x	y	z
x	12.202	2.780	0.000
y	2.780	16.322	0.000
z	0.000	0.000	10.379

<r²>	280.902
(<r²>)^1/2	16.760

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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