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	hartrees
Energy at 0K	-1310.594496
Energy at 298.15K	-1310.599508
Nuclear repulsion energy	419.948864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3081	3038	4.93
2	A	3068	3026	1.09
3	A	3012	2970	12.83
4	A	3011	2970	7.92
5	A	1438	1418	0.55
6	A	1425	1405	7.87
7	A	1281	1264	19.74
8	A	1240	1223	2.57
9	A	1144	1129	11.23
10	A	1097	1082	1.02
11	A	1084	1069	248.46
12	A	979	966	3.33
13	A	939	927	5.29
14	A	851	839	12.52
15	A	802	791	72.82
16	A	667	658	0.59
17	A	659	650	2.66
18	A	480	473	7.46
19	A	466	460	2.00
20	A	439	433	0.93
21	A	380	375	0.70
22	A	237	233	0.20
23	A	224	220	1.48
24	A	107	106	1.24

Atom	x (Å)	y (Å)	z (Å)
H1	2.703	-1.326	-0.118
H2	2.703	1.326	0.118
S3	-2.336	0.000	-0.000
C4	-0.688	-0.000	0.000
S5	0.288	1.481	0.087
S6	0.288	-1.481	-0.087
H7	2.019	0.657	-1.402
C8	1.903	0.699	-0.307
H9	2.019	-0.657	1.402
C10	1.903	-0.699	0.307

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6617	5.2111	3.6425	3.7080	2.4199	2.4597	2.1847	1.7955	1.1016
H2	2.6617		5.2111	3.6425	2.4199	3.7080	1.7955	1.1016	2.4597	2.1847
S3	5.2111	5.2111		1.6477	3.0140	3.0140	4.6215	4.3065	4.6214	4.3065
C4	3.6425	3.6425	1.6477		1.7757	1.7757	3.1183	2.7007	3.1183	2.7007
S5	3.7080	2.4199	3.0140	1.7757		2.9670	2.4268	1.8370	3.0493	2.7214
S6	2.4199	3.7080	3.0140	1.7757	2.9670		3.0493	2.7214	2.4268	1.8370
H7	2.4597	1.7955	4.6215	3.1183	2.4268	3.0493		1.1018	3.0971	2.1848
C8	2.1847	1.1016	4.3065	2.7007	1.8370	2.7214	1.1018		2.1848	1.5261
H9	1.7955	2.4597	4.6214	3.1183	3.0493	2.4268	3.0971	2.1848		1.1018
C10	1.1016	2.1847	4.3065	2.7007	2.7214	1.8370	2.1848	1.5261	1.1018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.251	H1	C10	C8	111.463
H1	C10	H9	109.145	H2	C8	S5	108.251
H2	C8	H7	109.145	H2	C8	C10	111.462
S3	C4	S5	123.340	S3	C4	S6	123.340
C4	S5	C8	96.744	C4	S6	C10	96.744
S5	C4	S6	113.320	S5	C8	H7	108.748
S5	C8	C10	107.675	S6	C10	C8	107.675
S6	C10	H9	108.747	H7	C8	C10	111.462
C8	C10	H9	111.462

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	H	0.178
2	H	0.178
3	S	-0.084
4	C	-0.395
5	S	0.284
6	S	0.284
7	H	0.186
8	C	-0.408
9	H	0.186
10	C	-0.408

	x	y	z
x	18.202	0.000	0.000
y	0.000	12.227	0.221
z	0.000	0.221	7.106

<r²>	279.929
(<r²>)^1/2	16.731

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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