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	hartrees
Energy at 0K	-1309.347009
Energy at 298.15K	-1309.352366
HF Energy	-1308.462727
Nuclear repulsion energy	424.229823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3016	6.47
2	A	3227	3006	2.49
3	A	3168	2952	15.83
4	A	3166	2949	9.55
5	A	1535	1430	0.17
6	A	1521	1417	6.89
7	A	1381	1287	21.16
8	A	1352	1260	3.51
9	A	1226	1143	25.59
10	A	1172	1092	272.17
11	A	1168	1088	0.79
12	A	1036	965	2.63
13	A	1019	950	11.03
14	A	929	866	18.26
15	A	874	814	54.91
16	A	730	680	0.33
17	A	722	672	2.99
18	A	517	482	13.74
19	A	502	468	3.08
20	A	464	432	2.14
21	A	405	377	1.41
22	A	267	248	0.18
23	A	243	226	1.79
24	A	104	97	1.54

Atom	x (Å)	y (Å)	z (Å)
H1	-2.668	-1.309	0.112
H2	-2.668	1.309	-0.112
S3	2.303	-0.000	0.000
C4	0.675	-0.000	-0.000
S5	-0.283	1.473	-0.086
S6	-0.283	-1.473	0.086
H7	-2.001	0.641	1.388
C8	-1.877	0.695	0.309
H9	-2.001	-0.641	-1.388
C10	-1.877	-0.695	-0.309

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6285	5.1417	3.5919	3.6703	2.3909	2.4240	2.1639	1.7725	1.0868
H2	2.6285		5.1416	3.5919	2.3909	3.6703	1.7724	1.0868	2.4240	2.1639
S3	5.1417	5.1416		1.6281	2.9771	2.9771	4.5678	4.2482	4.5679	4.2483
C4	3.5919	3.5919	1.6281		1.7592	1.7591	3.0824	2.6625	3.0822	2.6625
S5	3.6703	2.3909	2.9771	1.7592		2.9513	2.4125	1.8173	3.0195	2.7001
S6	2.3909	3.6703	2.9771	1.7591	2.9513		3.0195	2.7001	2.4125	1.8173
H7	2.4240	1.7724	4.5678	3.0824	2.4125	3.0195		1.0874	3.0577	2.1634
C8	2.1639	1.0868	4.2482	2.6625	1.8173	2.7001	1.0874		2.1634	1.5212
H9	1.7725	2.4240	4.5679	3.0822	3.0195	2.4125	3.0577	2.1634		1.0874
C10	1.0868	2.1639	4.2483	2.6625	2.7001	1.8173	2.1634	1.5212	1.0874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.185	H1	C10	C8	111.043
H1	C10	H9	109.216	H2	C8	S5	108.185
H2	C8	H7	109.216	H2	C8	C10	111.042
S3	C4	S5	122.982	S3	C4	S6	122.983
C4	S5	C8	96.213	C4	S6	C10	96.211
S5	C4	S6	114.036	S5	C8	H7	109.746
S5	C8	C10	107.627	S6	C10	C8	107.625
S6	C10	H9	109.746	H7	C8	C10	110.967
C8	C10	H9	110.967

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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