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	hartrees
Energy at 0K	-913.965868
Energy at 298.15K	-913.974433
HF Energy	-913.275096
Nuclear repulsion energy	267.404744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2938	45.01
2	A₁	3111	2920	1.06
3	A₁	2753	2584	12.98
4	A₁	1570	1474	3.00
5	A₁	1557	1462	0.09
6	A₁	1372	1288	37.22
7	A₁	1141	1071	3.69
8	A₁	895	840	1.81
9	A₁	829	779	1.50
10	A₁	310	291	0.28
11	A₁	133	125	0.20
12	A₂	3179	2984	0.00
13	A₂	1372	1288	0.00
14	A₂	1163	1092	0.00
15	A₂	874	821	0.00
16	A₂	187	175	0.00
17	A₂	94	88	0.00
18	B₁	3190	2994	30.89
19	B₁	3153	2959	0.54
20	B₁	1332	1250	2.72
21	B₁	1079	1013	4.60
22	B₁	779	731	3.44
23	B₁	172	161	46.21
24	B₁	103	97	0.04
25	B₂	3125	2933	3.78
26	B₂	2753	2584	30.49
27	B₂	1553	1457	5.25
28	B₂	1454	1364	17.86
29	B₂	1293	1214	10.46
30	B₂	1110	1042	0.15
31	B₂	936	879	0.48
32	B₂	748	702	1.52
33	B₂	344	323	7.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.166
C2	0.000	1.260	-0.698
C3	0.000	-1.260	-0.698
H4	0.882	0.000	0.816
H5	-0.882	0.000	0.816
S6	0.000	2.733	0.385
S7	0.000	-2.733	0.385
H8	0.000	3.646	-0.602
H9	0.000	-3.646	-0.602
H10	0.887	1.274	-1.337
H11	-0.887	1.274	-1.337
H12	-0.887	-1.274	-1.337
H13	0.887	-1.274	-1.337

	C1	C2	C3	H4	H5	S6	S7	H8	H9	H10	H11	H12	H13
C1		1.5275	1.5275	1.0957	1.0957	2.7413	2.7413	3.7260	3.7260	2.1608	2.1608	2.1608	2.1608
C2	1.5275		2.5192	2.1582	2.1582	1.8281	4.1364	2.3884	4.9066	1.0933	1.0933	2.7596	2.7596
C3	1.5275	2.5192		2.1582	2.1582	4.1364	1.8281	4.9066	2.3884	2.7596	2.7596	1.0933	1.0933
H4	1.0957	2.1582	2.1582		1.7634	2.9035	2.9035	4.0103	4.0103	2.5020	3.0642	3.0642	2.5020
H5	1.0957	2.1582	2.1582	1.7634		2.9035	2.9035	4.0103	4.0103	3.0642	2.5020	2.5020	3.0642
S6	2.7413	1.8281	4.1364	2.9035	2.9035		5.4651	1.3446	6.4544	2.4243	2.4243	4.4503	4.4503
S7	2.7413	4.1364	1.8281	2.9035	2.9035	5.4651		6.4544	1.3446	4.4503	4.4503	2.4243	2.4243
H8	3.7260	2.3884	4.9066	4.0103	4.0103	1.3446	6.4544		7.2920	2.6367	2.6367	5.0534	5.0534
H9	3.7260	4.9066	2.3884	4.0103	4.0103	6.4544	1.3446	7.2920		5.0534	5.0534	2.6367	2.6367
H10	2.1608	1.0933	2.7596	2.5020	3.0642	2.4243	4.4503	2.6367	5.0534		1.7745	3.1055	2.5486
H11	2.1608	1.0933	2.7596	3.0642	2.5020	2.4243	4.4503	2.6367	5.0534	1.7745		2.5486	3.1055
H12	2.1608	2.7596	1.0933	3.0642	2.5020	4.4503	2.4243	5.0534	2.6367	3.1055	2.5486		1.7745
H13	2.1608	2.7596	1.0933	2.5020	3.0642	4.4503	2.4243	5.0534	2.6367	2.5486	3.1055	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S6	109.227	C1	C2	H10	109.968
C1	C2	H11	109.968	C1	C3	S7	109.227
C1	C3	H12	109.968	C1	C3	H13	109.968
C2	C1	C3	111.099	C2	C1	H4	109.623
C2	C1	H5	109.623	C2	S6	H8	96.472
C3	C1	H4	109.623	C3	C1	H5	109.623
C3	S7	H9	96.472	H4	C1	H5	107.167
S6	C2	H10	109.583	S6	C2	H11	109.583
S7	C3	H12	109.583	S7	C3	H13	109.583
H10	C2	H11	108.498	H12	C3	H13	108.498

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

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 C3H8S2 (1,3-Propanedithiol)

using model chemistry: MP3/6-31G*

States and conformations

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