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	hartrees
Energy at 0K	-49.332265
Energy at 298.15K	-49.337494
HF Energy	-48.590694
Nuclear repulsion energy	108.915772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3040	13.22
2	A	3189	3028	1.02
3	A	3115	2958	28.34
4	A	3111	2954	13.46
5	A	1506	1430	0.24
6	A	1489	1414	7.19
7	A	1353	1284	22.77
8	A	1315	1249	5.40
9	A	1206	1145	14.87
10	A	1155	1097	216.61
11	A	1151	1093	2.35
12	A	1020	969	3.05
13	A	998	947	1.81
14	A	909	863	21.21
15	A	858	814	85.19
16	A	724	688	0.72
17	A	713	677	3.94
18	A	500	475	14.72
19	A	487	462	2.06
20	A	455	432	1.47
21	A	387	367	0.66
22	A	254	241	0.21
23	A	241	229	1.69
24	A	107	101	1.58

Atom	x (Å)	y (Å)	z (Å)
H1	-2.368	1.317	-0.178
H2	-2.368	-1.317	0.178
S3	2.667	-0.000	0.000
C4	1.015	0.000	-0.000
S5	0.042	-1.482	0.175
S6	0.042	1.482	-0.175
H7	-1.671	-0.717	-1.377
C8	-1.561	-0.718	-0.279
H9	-1.671	0.717	1.377
C10	-1.561	0.718	0.279

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6590	5.2081	3.6352	3.7104	2.4156	2.4623	2.1922	1.8070	1.1043
H2	2.6590		5.2081	3.6353	2.4156	3.7105	1.8070	1.1043	2.4624	2.1922
S3	5.2081	5.2081		1.6522	3.0198	3.0198	4.6075	4.2984	4.6075	4.2984
C4	3.6352	3.6353	1.6522		1.7813	1.7813	3.1023	2.6893	3.1023	2.6893
S5	3.7104	2.4156	3.0198	1.7813		2.9837	2.4341	1.8327	3.0351	2.7240
S6	2.4156	3.7105	3.0198	1.7813	2.9837		3.0352	2.7241	2.4341	1.8327
H7	2.4623	1.8070	4.6075	3.1023	2.4341	3.0352		1.1030	3.1049	2.1944
C8	2.1922	1.1043	4.2984	2.6893	1.8327	2.7241	1.1030		2.1945	1.5414
H9	1.8070	2.4624	4.6075	3.1023	3.0351	2.4341	3.1049	2.1945		1.1030
C10	1.1043	2.1922	4.2984	2.6893	2.7240	1.8327	2.1944	1.5414	1.1030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.090	H1	C10	C8	110.828
H1	C10	H9	109.901	H2	C8	S5	108.090
H2	C8	H7	109.900	H2	C8	C10	110.829
S3	C4	S5	123.123	S3	C4	S6	123.124
C4	S5	C8	96.160	C4	S6	C10	96.160
S5	C4	S6	113.752	S5	C8	H7	109.498
S5	C8	C10	107.358	S6	C10	C8	107.359
S6	C10	H9	109.497	H7	C8	C10	111.078
C8	C10	H9	111.079

All results from a given calculation for C₃H₄S₃ (1,3-Dithiolane-2-thione)

using model chemistry: MP2/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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All results from a given calculation for C3H4S3 (1,3-Dithiolane-2-thione)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₄S₃ (1,3-Dithiolane-2-thione)