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	hartrees
Energy at 0K	-1274.289833
Energy at 298.15K	-1274.295879
Nuclear repulsion energy	360.476762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3062	3.50
2	A	3158	3047	0.02
3	A	3050	2944	3.21
4	A	1445	1394	8.02
5	A	1426	1377	9.34
6	A	1309	1263	0.29
7	A	958	924	0.21
8	A	954	921	5.36
9	A	705	680	0.59
10	A	485	468	0.10
11	A	260	251	0.16
12	A	179	172	2.08
13	A	146	141	0.65
14	A	60	58	2.20
15	B	3173	3062	2.28
16	B	3158	3047	3.69
17	B	3050	2943	31.32
18	B	1444	1393	13.60
19	B	1426	1376	9.54
20	B	1311	1265	10.27
21	B	957	924	2.85
22	B	949	916	12.68
23	B	703	678	2.45
24	B	460	444	23.38
25	B	272	263	0.93
26	B	164	158	0.72
27	B	96	92	3.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.076
S2	0.000	1.679	-0.159
S3	0.000	-1.679	-0.159
C4	1.752	1.816	-0.637
C5	-1.752	-1.816	-0.637
H6	1.822	2.707	-1.280
H7	-1.822	-2.707	-1.280
H8	2.390	1.948	0.247
H9	2.060	0.930	-1.210
H10	-2.390	-1.948	0.247
H11	-2.060	-0.930	-1.210

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0847	2.0847	3.0501	3.0501	4.0249	4.0249	3.1931	3.2146	3.1931	3.2146
S2	2.0847		3.3587	1.8213	3.9393	2.3732	4.8803	2.4394	2.4307	4.3634	3.4867
S3	2.0847	3.3587		3.9393	1.8213	4.8803	2.3732	4.3634	3.4867	2.4394	2.4307
C4	3.0501	1.8213	3.9393		5.0473	1.1011	5.8007	1.0985	1.0991	5.6669	4.7332
C5	3.0501	3.9393	1.8213	5.0473		5.8007	1.1011	5.6669	4.7332	1.0985	1.0991
H6	4.0249	2.3732	4.8803	1.1011	5.8007		6.5260	1.7980	1.7942	6.4613	5.3199
H7	4.0249	4.8803	2.3732	5.8007	1.1011	6.5260		6.4613	5.3199	1.7980	1.7942
H8	3.1931	2.4394	4.3634	1.0985	5.6669	1.7980	6.4613		1.8082	6.1675	5.4967
H9	3.2146	2.4307	3.4867	1.0991	4.7332	1.7942	5.3199	1.8082		5.4967	4.5203
H10	3.1931	4.3634	2.4394	5.6669	1.0985	6.4613	1.7980	6.1675	5.4967		1.8082
H11	3.2146	3.4867	2.4307	4.7332	1.0991	5.3199	1.7942	5.4967	4.5203	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.474	S1	S3	C5	102.474
S2	S1	S3	107.329	S2	C4	H6	105.955
S2	C4	H8	110.893	S2	C4	H9	110.211
S3	C5	H7	105.955	S3	C5	H10	110.893
S3	C5	H11	110.211	H6	C4	H8	109.655
H6	C4	H9	109.267	H7	C5	H10	109.655
H7	C5	H11	109.267	H8	C4	H9	110.737
H10	C5	H11	110.737

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.060
2	S	-0.059
3	S	-0.059
4	C	-0.183
5	C	-0.183
6	H	0.086
7	H	0.086
8	H	0.092
9	H	0.094
10	H	0.092
11	H	0.094

	x	y	z
x	10.657	2.654	0.000
y	2.654	14.519	0.000
z	0.000	0.000	8.878

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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