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	hartrees
Energy at 0K	-1309.258293
Energy at 298.15K
HF Energy	-1308.462379
Nuclear repulsion energy	424.116974

Atom	x (Å)	y (Å)	z (Å)
H1	-2.672	-1.308	0.096
H2	-2.672	1.308	-0.096
S3	2.309	-0.000	0.000
C4	0.675	-0.000	-0.000
S5	-0.287	1.472	-0.088
S6	-0.287	-1.472	0.088
H7	-1.991	0.626	1.399
C8	-1.874	0.691	0.317
H9	-1.991	-0.626	-1.399
C10	-1.874	-0.691	-0.317

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6239	5.1512	3.5946	3.6673	2.3904	2.4295	2.1636	1.7794	1.0902
H2	2.6239		5.1512	3.5946	2.3904	3.6673	1.7794	1.0902	2.4295	2.1636
S3	5.1512	5.1512		1.6346	2.9858	2.9858	4.5651	4.2520	4.5651	4.2520
C4	3.5946	3.5946	1.6346		1.7602	1.7602	3.0748	2.6598	3.0746	2.6597
S5	3.6673	2.3904	2.9858	1.7602		2.9482	2.4142	1.8144	3.0034	2.6919
S6	2.3904	3.6673	2.9858	1.7602	2.9482		3.0034	2.6918	2.4142	1.8144
H7	2.4295	1.7794	4.5651	3.0748	2.4142	3.0034		1.0906	3.0653	2.1658
C8	2.1636	1.0902	4.2520	2.6598	1.8144	2.6918	1.0906		2.1658	1.5196
H9	1.7794	2.4295	4.5651	3.0746	3.0034	2.4142	3.0653	2.1658		1.0906
C10	1.0902	2.1636	4.2520	2.6597	2.6919	1.8144	2.1658	1.5196	1.0906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.165	H1	C10	C8	110.927
H1	C10	H9	109.357	H2	C8	S5	108.165
H2	C8	H7	109.357	H2	C8	C10	110.926
S3	C4	S5	123.125	S3	C4	S6	123.126
C4	S5	C8	96.149	C4	S6	C10	96.147
S5	C4	S6	113.750	S5	C8	H7	109.899
S5	C8	C10	107.354	S6	C10	C8	107.352
S6	C10	H9	109.899	H7	C8	C10	111.076
C8	C10	H9	111.077

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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