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	hartrees
Energy at 0K	-914.277600
Energy at 298.15K	-914.286119
Nuclear repulsion energy	268.818995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	2942	37.88
2	A₁	3078	2922	0.17
3	A₁	2764	2624	0.22
4	A₁	1511	1435	4.04
5	A₁	1497	1422	0.00
6	A₁	1294	1229	23.42
7	A₁	1112	1056	1.31
8	A₁	865	821	0.38
9	A₁	808	767	0.27
10	A₁	302	287	0.21
11	A₁	126	120	0.21
12	A₂	3154	2994	0.00
13	A₂	1332	1265	0.00
14	A₂	1117	1060	0.00
15	A₂	842	800	0.00
16	A₂	196	186	0.00
17	A₂	89	85	0.00
18	B₁	3165	3005	17.98
19	B₁	3127	2969	0.42
20	B₁	1282	1218	2.76
21	B₁	1027	975	3.62
22	B₁	760	721	2.47
23	B₁	186	176	34.39
24	B₁	98	93	0.06
25	B₂	3093	2937	5.05
26	B₂	2764	2625	3.04
27	B₂	1495	1419	3.95
28	B₂	1373	1304	13.15
29	B₂	1234	1171	10.96
30	B₂	1086	1031	0.05
31	B₂	898	853	0.20
32	B₂	737	700	2.55
33	B₂	331	315	5.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.157
C2	0.000	1.253	-0.707
C3	0.000	-1.253	-0.707
H4	0.879	0.000	0.804
H5	-0.879	0.000	0.804
S6	0.000	2.709	0.389
S7	0.000	-2.709	0.389
H8	0.000	3.633	-0.577
H9	0.000	-3.633	-0.577
H10	0.886	1.273	-1.339
H11	-0.886	1.273	-1.339
H12	-0.886	-1.273	-1.339
H13	0.886	-1.273	-1.339

	C1	C2	C3	H4	H5	S6	S7	H8	H9	H10	H11	H12	H13
C1		1.5215	1.5215	1.0912	1.0912	2.7192	2.7192	3.7069	3.7069	2.1551	2.1551	2.1551	2.1551
C2	1.5215		2.5052	2.1503	2.1503	1.8226	4.1106	2.3843	4.8877	1.0885	1.0885	2.7505	2.7505
C3	1.5215	2.5052		2.1503	2.1503	4.1106	1.8226	4.8877	2.3843	2.7505	2.7505	1.0885	1.0885
H4	1.0912	2.1503	2.1503		1.7570	2.8784	2.8784	3.9852	3.9852	2.4931	3.0542	3.0542	2.4931
H5	1.0912	2.1503	2.1503	1.7570		2.8784	2.8784	3.9852	3.9852	3.0542	2.4931	2.4931	3.0542
S6	2.7192	1.8226	4.1106	2.8784	2.8784		5.4187	1.3368	6.4159	2.4148	2.4148	4.4308	4.4308
S7	2.7192	4.1106	1.8226	2.8784	2.8784	5.4187		6.4159	1.3368	4.4308	4.4308	2.4148	2.4148
H8	3.7069	2.3843	4.8877	3.9852	3.9852	1.3368	6.4159		7.2668	2.6332	2.6332	5.0440	5.0440
H9	3.7069	4.8877	2.3843	3.9852	3.9852	6.4159	1.3368	7.2668		5.0440	5.0440	2.6332	2.6332
H10	2.1551	1.0885	2.7505	2.4931	3.0542	2.4148	4.4308	2.6332	5.0440		1.7714	3.1024	2.5469
H11	2.1551	1.0885	2.7505	3.0542	2.4931	2.4148	4.4308	2.6332	5.0440	1.7714		2.5469	3.1024
H12	2.1551	2.7505	1.0885	3.0542	2.4931	4.4308	2.4148	5.0440	2.6332	3.1024	2.5469		1.7714
H13	2.1551	2.7505	1.0885	2.4931	3.0542	4.4308	2.4148	5.0440	2.6332	2.5469	3.1024	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S6	108.473	C1	C2	H10	110.218
C1	C2	H11	110.218	C1	C3	S7	108.473
C1	C3	H12	110.218	C1	C3	H13	110.218
C2	C1	C3	110.826	C2	C1	H4	109.676
C2	C1	H5	109.676	C2	S6	H8	96.788
C3	C1	H4	109.676	C3	C1	H5	109.676
C3	S7	H9	96.788	H4	C1	H5	107.239
S6	C2	H10	109.503	S6	C2	H11	109.503
S7	C3	H12	109.503	S7	C3	H13	109.503
H10	C2	H11	108.912	H12	C3	H13	108.912

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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