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	hartrees
Energy at 0K	-1310.763935
Energy at 298.15K	-1310.769178
HF Energy	-1310.763935
Nuclear repulsion energy	423.850351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3021	3.86
2	A	3153	3010	1.27
3	A	3093	2954	14.33
4	A	3093	2953	8.64
5	A	1482	1415	1.37
6	A	1467	1401	10.89
7	A	1329	1269	17.72
8	A	1294	1235	3.39
9	A	1192	1138	12.76
10	A	1137	1086	0.51
11	A	1129	1078	296.09
12	A	1016	970	3.37
13	A	978	934	8.85
14	A	898	858	26.80
15	A	850	812	56.19
16	A	706	674	0.57
17	A	700	668	3.19
18	A	508	486	8.61
19	A	491	469	2.78
20	A	460	439	1.07
21	A	395	377	1.39
22	A	253	241	0.24
23	A	234	223	1.69
24	A	109	104	1.44

Atom	x (Å)	y (Å)	z (Å)
H1	2.720	1.295	0.046
H2	2.720	-1.296	-0.040
S3	-2.317	-0.000	0.001
C4	-0.654	0.000	-0.000
S5	0.282	-1.454	-0.093
S6	0.282	1.455	0.090
H7	1.953	-0.606	1.412
C8	1.885	-0.689	0.322
H9	1.958	0.605	-1.408
C10	1.886	0.689	-0.319

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.5921	5.2009	3.6140	3.6772	2.4436	2.4632	2.1703	1.7810	1.0937
H2	2.5921		5.2014	3.6147	2.4440	3.6778	1.7808	1.0938	2.4634	2.1709
S3	5.2009	5.2014		1.6631	2.9797	2.9796	4.5377	4.2703	4.5417	4.2709
C4	3.6140	3.6147	1.6631		1.7321	1.7316	3.0263	2.6506	3.0281	2.6506
S5	3.6772	2.4440	2.9797	1.7321		2.9146	2.4032	1.8242	2.9634	2.6865
S6	2.4436	3.6778	2.9796	1.7316	2.9146		2.9644	2.6870	2.4029	1.8237
H7	2.4632	1.7808	4.5377	3.0263	2.4032	2.9644		1.0949	3.0694	2.1626
C8	2.1703	1.0938	4.2703	2.6506	1.8242	2.6870	1.0949		2.1624	1.5199
H9	1.7810	2.4634	4.5417	3.0281	2.9634	2.4029	3.0694	2.1624		1.0951
C10	1.0937	2.1709	4.2709	2.6506	2.6865	1.8237	2.1626	1.5199	1.0951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	111.302	H1	C10	C8	111.231
H1	C10	H9	108.915	H2	C8	S5	111.294
H2	C8	H7	108.906	H2	C8	C10	111.272
S3	C4	S5	122.695	S3	C4	S6	122.717
C4	S5	C8	96.341	C4	S6	C10	96.374
S5	C4	S6	114.588	S5	C8	H7	108.222
S5	C8	C10	106.549	S6	C10	C8	106.604
S6	C10	H9	108.222	H7	C8	C10	110.547
C8	C10	H9	110.517

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	H	0.217
2	H	0.217
3	S	-0.141
4	C	-0.326
5	S	0.260
6	S	0.260
7	H	0.230
8	C	-0.474
9	H	0.230
10	C	-0.474

	x	y	z
x	19.036	0.000	0.000
y	0.000	13.233	-0.153
z	0.000	-0.153	8.767

<r²>	275.837
(<r²>)^1/2	16.608

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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