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	hartrees
Energy at 0K	-49.797887
Energy at 298.15K	-49.802953
Nuclear repulsion energy	108.601075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3022	18.71
2	A	3102	3007	3.59
3	A	3053	2959	33.15
4	A	3049	2955	15.51
5	A	1491	1445	0.12
6	A	1475	1430	7.09
7	A	1321	1281	25.35
8	A	1286	1247	3.26
9	A	1174	1138	6.13
10	A	1123	1089	0.89
11	A	1081	1048	278.69
12	A	980	950	1.59
13	A	966	937	10.71
14	A	873	846	11.96
15	A	818	793	71.40
16	A	677	656	0.38
17	A	665	645	4.14
18	A	481	466	8.25
19	A	470	456	2.22
20	A	444	431	1.26
21	A	376	365	1.54
22	A	239	232	0.15
23	A	226	219	1.70
24	A	105	101	1.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.372	1.319	0.195
H2	2.372	-1.320	-0.195
S3	-2.680	-0.000	0.000
C4	-1.026	0.000	0.000
S5	-0.049	-1.483	-0.170
S6	-0.048	1.483	0.170
H7	1.697	-0.742	1.355
C8	1.579	-0.720	0.267
H9	1.697	0.742	-1.355
C10	1.579	0.720	-0.267

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6677	5.2245	3.6501	3.7208	2.4257	2.4596	2.1895	1.7867	1.0960
H2	2.6677		5.2245	3.6501	2.4257	3.7208	1.7867	1.0960	2.4596	2.1895
S3	5.2245	5.2245		1.6538	3.0253	3.0253	4.6417	4.3271	4.6417	4.3271
C4	3.6501	3.6501	1.6538		1.7844	1.7844	3.1310	2.7154	3.1310	2.7154
S5	3.7208	2.4257	3.0253	1.7844		2.9856	2.4341	1.8494	3.0660	2.7404
S6	2.4257	3.7208	3.0253	1.7844	2.9856		3.0660	2.7404	2.4341	1.8494
H7	2.4596	1.7867	4.6417	3.1310	2.4341	3.0660		1.0954	3.0900	2.1867
C8	2.1895	1.0960	4.3271	2.7154	1.8494	2.7404	1.0954		2.1867	1.5357
H9	1.7867	2.4596	4.6417	3.1310	3.0660	2.4341	3.0900	2.1867		1.0954
C10	1.0960	2.1895	4.3271	2.7154	2.7404	1.8494	2.1867	1.5357	1.0954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.141	H1	C10	C8	111.507
H1	C10	H9	109.240	H2	C8	S5	108.141
H2	C8	H7	109.239	H2	C8	C10	111.507
S3	C4	S5	123.220	S3	C4	S6	123.221
C4	S5	C8	96.693	C4	S6	C10	96.693
S5	C4	S6	113.560	S5	C8	H7	108.784
S5	C8	C10	107.747	S6	C10	C8	107.747
S6	C10	H9	108.783	H7	C8	C10	111.324
C8	C10	H9	111.324

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

using model chemistry: B3LYP/CEP-121G*

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	0.211
2	H	0.211
3	S	-0.217
4	C	-0.067
5	S	0.145
6	S	0.145
7	H	0.212
8	C	-0.426
9	H	0.212
10	C	-0.426

	x	y	z
x	19.346	-0.007	-0.001
y	-0.007	13.045	0.489
z	-0.001	0.489	7.950

<r²>	158.822
(<r²>)^1/2	12.602

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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