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	hartrees
Energy at 0K	-48.592128
Energy at 298.15K	-48.597606
Nuclear repulsion energy	109.625740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3348	3006	33.32
2	A	3332	2992	3.46
3	A	3279	2945	58.32
4	A	3271	2937	21.84
5	A	1625	1460	0.04
6	A	1604	1441	3.94
7	A	1453	1304	31.30
8	A	1421	1276	4.23
9	A	1302	1169	11.01
10	A	1225	1100	1.27
11	A	1191	1069	405.80
12	A	1069	960	0.01
13	A	1060	952	17.79
14	A	984	884	35.47
15	A	918	825	43.87
16	A	764	686	0.46
17	A	751	674	8.88
18	A	536	481	7.78
19	A	522	469	1.23
20	A	491	441	0.07
21	A	408	366	5.05
22	A	269	242	0.01
23	A	238	214	2.09
24	A	113	102	1.27

Atom	x (Å)	y (Å)	z (Å)
H1	2.343	1.311	0.214
H2	2.343	-1.311	-0.214
S3	-2.651	-0.000	0.000
C4	-1.014	0.000	-0.000
S5	-0.050	-1.469	-0.167
S6	-0.050	1.469	0.167
H7	1.694	-0.751	1.337
C8	1.561	-0.722	0.259
H9	1.694	0.751	-1.337
C10	1.561	0.722	-0.259

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6571	5.1670	3.6099	3.6877	2.3981	2.4364	2.1787	1.7725	1.0874
H2	2.6571		5.1670	3.6099	2.3981	3.6878	1.7725	1.0874	2.4364	2.1787
S3	5.1670	5.1670		1.6368	2.9918	2.9918	4.6073	4.2809	4.6074	4.2809
C4	3.6099	3.6099	1.6368		1.7652	1.7652	3.1121	2.6867	3.1120	2.6867
S5	3.6877	2.3981	2.9918	1.7652		2.9573	2.4122	1.8261	3.0562	2.7211
S6	2.3981	3.6878	2.9918	1.7652	2.9573		3.0563	2.7211	2.4122	1.8261
H7	2.4364	1.7725	4.6073	3.1121	2.4122	3.0563		1.0866	3.0679	2.1766
C8	2.1787	1.0874	4.2809	2.6867	1.8261	2.7211	1.0866		2.1766	1.5343
H9	1.7725	2.4364	4.6074	3.1120	3.0562	2.4122	3.0679	2.1766		1.0866
C10	1.0874	2.1787	4.2809	2.6867	2.7211	1.8261	2.1766	1.5343	1.0866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.102	H1	C10	C8	111.266
H1	C10	H9	109.241	H2	C8	S5	108.102
H2	C8	H7	109.241	H2	C8	C10	111.267
S3	C4	S5	123.103	S3	C4	S6	123.105
C4	S5	C8	96.841	C4	S6	C10	96.839
S5	C4	S6	113.792	S5	C8	H7	109.178
S5	C8	C10	107.827	S6	C10	C8	107.830
S6	C10	H9	109.178	H7	C8	C10	111.147
C8	C10	H9	111.146

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	H	0.168
2	H	0.168
3	S	-0.262
4	C	-0.006
5	S	0.062
6	S	0.062
7	H	0.159
8	C	-0.256
9	H	0.159
10	C	-0.256

	x	y	z
x	17.767	0.000	-0.000
y	0.000	11.013	0.569
z	-0.000	0.569	5.953

<r²>	157.074
(<r²>)^1/2	12.533

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

using model chemistry: HF/CEP-31G*

States and conformations

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