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	hartrees
Energy at 0K	-1309.254223
Energy at 298.15K	-1309.259574
HF Energy	-1308.453570
Nuclear repulsion energy	423.640072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3010	5.30
2	A	3195	2999	1.48
3	A	3143	2950	12.08
4	A	3140	2947	6.81
5	A	1546	1451	0.32
6	A	1532	1438	8.02
7	A	1383	1298	19.78
8	A	1351	1268	4.00
9	A	1234	1158	22.19
10	A	1180	1107	1.33
11	A	1180	1107	263.63
12	A	1040	976	3.37
13	A	1022	959	6.79
14	A	932	875	17.73
15	A	876	823	61.21
16	A	732	687	0.43
17	A	723	678	3.30
18	A	517	485	12.40
19	A	505	474	2.19
20	A	470	441	0.77
21	A	406	381	1.40
22	A	268	251	0.04
23	A	244	229	1.94
24	A	106	100	1.50

Atom	x (Å)	y (Å)	z (Å)
H1	-2.678	1.314	-0.103
H2	-2.678	-1.314	0.103
S3	2.306	-0.000	0.000
C4	0.678	0.000	-0.000
S5	-0.283	-1.475	0.087
S6	-0.283	1.475	-0.087
H7	-1.996	-0.638	-1.396
C8	-1.879	-0.695	-0.311
H9	-1.996	0.638	1.396
C10	-1.879	0.695	0.311

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6364	5.1552	3.6058	3.6810	2.4001	2.4393	2.1725	1.7804	1.0927
H2	2.6364		5.1552	3.6059	2.4001	3.6811	1.7804	1.0927	2.4394	2.1726
S3	5.1552	5.1552		1.6275	2.9811	2.9811	4.5671	4.2530	4.5671	4.2530
C4	3.6058	3.6059	1.6275		1.7630	1.7629	3.0832	2.6678	3.0832	2.6678
S5	3.6810	2.4001	2.9811	1.7630		2.9552	2.4150	1.8197	3.0185	2.7026
S6	2.4001	3.6811	2.9811	1.7629	2.9552		3.0185	2.7027	2.4150	1.8197
H7	2.4393	1.7804	4.5671	3.0832	2.4150	3.0185		1.0928	3.0703	2.1695
C8	2.1725	1.0927	4.2530	2.6678	1.8197	2.7027	1.0928		2.1695	1.5232
H9	1.7804	2.4394	4.5671	3.0832	3.0185	2.4150	3.0703	2.1695		1.0928
C10	1.0927	2.1726	4.2530	2.6678	2.7026	1.8197	2.1695	1.5232	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.398	H1	C10	C8	111.237
H1	C10	H9	109.111	H2	C8	S5	108.399
H2	C8	H7	109.111	H2	C8	C10	111.238
S3	C4	S5	123.055	S3	C4	S6	123.056
C4	S5	C8	96.242	C4	S6	C10	96.241
S5	C4	S6	113.889	S5	C8	H7	109.486
S5	C8	C10	107.560	S6	C10	C8	107.562
S6	C10	H9	109.484	H7	C8	C10	110.989
C8	C10	H9	110.990

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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