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	hartrees
Energy at 0K	-914.309403
Energy at 298.15K
HF Energy	-913.340662
Nuclear repulsion energy	268.482638

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.157
C2	0.000	1.257	-0.703
C3	0.000	-1.257	-0.703
H4	0.882	0.000	0.806
H5	-0.882	0.000	0.806
S6	0.000	2.714	0.388
S7	0.000	-2.714	0.388
H8	0.000	3.637	-0.589
H9	0.000	-3.637	-0.589
H10	0.889	1.272	-1.338
H11	-0.889	1.272	-1.338
H12	-0.889	-1.272	-1.338
H13	0.889	-1.272	-1.338

	C1	C2	C3	H4	H5	S6	S7	H8	H9	H10	H11	H12	H13
C1		1.5233	1.5233	1.0946	1.0946	2.7237	2.7237	3.7128	3.7128	2.1550	2.1550	2.1550	2.1550
C2	1.5233		2.5139	2.1527	2.1527	1.8203	4.1181	2.3829	4.8953	1.0923	1.0923	2.7546	2.7546
C3	1.5233	2.5139		2.1527	2.1527	4.1181	1.8203	4.8953	2.3829	2.7546	2.7546	1.0923	1.0923
H4	1.0946	2.1527	2.1527		1.7639	2.8840	2.8840	3.9939	3.9939	2.4927	3.0576	3.0576	2.4927
H5	1.0946	2.1527	2.1527	1.7639		2.8840	2.8840	3.9939	3.9939	3.0576	2.4927	2.4927	3.0576
S6	2.7237	1.8203	4.1181	2.8840	2.8840		5.4279	1.3441	6.4257	2.4185	2.4185	4.4335	4.4335
S7	2.7237	4.1181	1.8203	2.8840	2.8840	5.4279		6.4257	1.3441	4.4335	4.4335	2.4185	2.4185
H8	3.7128	2.3829	4.8953	3.9939	3.9939	1.3441	6.4257		7.2741	2.6354	2.6354	5.0446	5.0446
H9	3.7128	4.8953	2.3829	3.9939	3.9939	6.4257	1.3441	7.2741		5.0446	5.0446	2.6354	2.6354
H10	2.1550	1.0923	2.7546	2.4927	3.0576	2.4185	4.4335	2.6354	5.0446		1.7774	3.1031	2.5437
H11	2.1550	1.0923	2.7546	3.0576	2.4927	2.4185	4.4335	2.6354	5.0446	1.7774		2.5437	3.1031
H12	2.1550	2.7546	1.0923	3.0576	2.4927	4.4335	2.4185	5.0446	2.6354	3.1031	2.5437		1.7774
H13	2.1550	2.7546	1.0923	2.4927	3.0576	4.4335	2.4185	5.0446	2.6354	2.5437	3.1031	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S6	108.772	C1	C2	H10	109.857
C1	C2	H11	109.857	C1	C3	S7	108.772
C1	C3	H12	109.857	C1	C3	H13	109.857
C2	C1	C3	111.203	C2	C1	H4	109.548
C2	C1	H5	109.548	C2	S6	H8	96.548
C3	C1	H4	109.548	C3	C1	H5	109.548
C3	S7	H9	96.548	H4	C1	H5	107.366
S6	C2	H10	109.727	S6	C2	H11	109.727
S7	C3	H12	109.727	S7	C3	H13	109.727
H10	C2	H11	108.891	H12	C3	H13	108.891

All results from a given calculation for C₃H₈S₂ (1,3-Propanedithiol)

using model chemistry: MP2=FULL/6-311G*

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 C3H8S2 (1,3-Propanedithiol)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₈S₂ (1,3-Propanedithiol)