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	hartrees
Energy at 0K	-1268.051605
Energy at 298.15K	-1268.057292
HF Energy	-1268.051605
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3095	2.89
2	A	3122	3069	0.01
3	A	3023	2971	3.32
4	A	1509	1483	15.06
5	A	1493	1467	7.21
6	A	1352	1329	0.04
7	A	986	969	0.01
8	A	977	961	6.42
9	A	604	594	0.01
10	A	396	390	0.07
11	A	236	232	0.04
12	A	178	175	0.16
13	A	139	137	2.42
14	A	47	47	2.45
15	B	3148	3095	5.82
16	B	3122	3069	1.67
17	B	3022	2971	17.99
18	B	1507	1481	10.14
19	B	1492	1467	18.68
20	B	1354	1331	11.05
21	B	980	964	5.05
22	B	979	962	13.09
23	B	602	592	4.41
24	B	356	350	23.02
25	B	228	224	0.64
26	B	185	182	1.20
27	B	91	89	6.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.308
S2	0.000	1.766	-0.153
S3	0.000	-1.766	-0.153
C4	1.759	1.500	-0.847
C5	-1.759	-1.500	-0.847
H6	1.870	2.215	-1.672
H7	-1.870	-2.215	-1.672
H8	2.488	1.688	-0.054
H9	1.811	0.469	-1.213
H10	-2.488	-1.688	-0.054
H11	-1.811	-0.469	-1.213

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2917	2.2917	3.1602	3.1602	4.1569	4.1569	3.3001	3.1387	3.3001	3.1387
S2	2.2917		3.5322	1.9096	3.7743	2.4509	4.6532	2.4908	2.4669	4.2577	3.0654
S3	2.2917	3.5322		3.7743	1.9096	4.6532	2.4509	4.2577	3.0654	2.4908	2.4669
C4	3.1602	1.9096	3.7743		4.6239	1.0969	5.2586	1.0933	1.0958	5.3692	4.0930
C5	3.1602	3.7743	1.9096	4.6239		5.2586	1.0969	5.3692	4.0930	1.0933	1.0958
H6	4.1569	2.4509	4.6532	1.0969	5.2586		5.7975	1.8102	1.8062	6.0696	4.5781
H7	4.1569	4.6532	2.4509	5.2586	1.0969	5.7975		6.0696	4.5781	1.8102	1.8062
H8	3.3001	2.4908	4.2577	1.0933	5.3692	1.8102	6.0696		1.8136	6.0124	4.9466
H9	3.1387	2.4669	3.0654	1.0958	4.0930	1.8062	4.5781	1.8136		4.9466	3.7404
H10	3.3001	4.2577	2.4908	5.3692	1.0933	6.0696	1.8102	6.0124	4.9466		1.8136
H11	3.1387	3.0654	2.4669	4.0930	1.0958	4.5781	1.8062	4.9466	3.7404	1.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	108.135	S1	S3	C5	108.135
S2	S1	S3	118.480	S2	C4	H6	105.818
S2	C4	H8	112.480	S2	C4	H9	112.026
S3	C5	H7	105.818	S3	C5	H10	112.480
S3	C5	H11	112.026	H6	C4	H8	108.856
H6	C4	H9	108.555	H7	C5	H10	108.856
H7	C5	H11	108.555	H8	C4	H9	108.959
H10	C5	H11	108.959

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

using model chemistry: B97D3/3-21G

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	0.078
3	S	0.078
4	C	-0.812
5	C	-0.812
6	H	0.245
7	H	0.245
8	H	0.254
9	H	0.267
10	H	0.254
11	H	0.267

	x	y	z
x	9.712	2.002	0.000
y	2.002	15.115	0.000
z	0.000	0.000	9.777

<r²>	283.920
(<r²>)^1/2	16.850

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

using model chemistry: B97D3/3-21G

States and conformations

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