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	hartrees
Energy at 0K	-1302.278454
Energy at 298.15K	-1302.283969
Nuclear repulsion energy	424.670041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	2991	2.92
2	A	3297	2976	0.45
3	A	3252	2935	14.03
4	A	3247	2931	4.91
5	A	1641	1481	1.50
6	A	1633	1474	14.65
7	A	1465	1322	14.34
8	A	1450	1309	5.80
9	A	1307	1180	2.05
10	A	1274	1150	0.54
11	A	1186	1070	369.41
12	A	1066	962	25.03
13	A	1026	926	1.46
14	A	970	875	6.66
15	A	900	812	54.44
16	A	741	669	1.22
17	A	723	652	4.77
18	A	541	489	2.20
19	A	531	479	8.98
20	A	510	461	0.52
21	A	423	381	4.18
22	A	283	255	0.01
23	A	233	210	2.56
24	A	110	99	1.38

Atom	x (Å)	y (Å)	z (Å)
H1	2.661	1.313	0.150
H2	2.661	-1.314	-0.150
S3	-2.295	-0.000	0.000
C4	-0.673	0.000	-0.000
S5	0.275	-1.471	-0.084
S6	0.275	1.471	0.084
H7	2.021	-0.678	1.366
C8	1.883	-0.710	0.295
H9	2.021	0.678	-1.366
C10	1.883	0.710	-0.295

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6441	5.1294	3.5871	3.6751	2.3930	2.4197	2.1725	1.7640	1.0809
H2	2.6441		5.1294	3.5871	2.3930	3.6752	1.7640	1.0809	2.4197	2.1725
S3	5.1294	5.1294		1.6215	2.9618	2.9618	4.5771	4.2481	4.5771	4.2481
C4	3.5871	3.5871	1.6215		1.7521	1.7520	3.0958	2.6695	3.0958	2.6695
S5	3.6751	2.3930	2.9618	1.7521		2.9472	2.4045	1.8198	3.0515	2.7181
S6	2.3930	3.6752	2.9618	1.7520	2.9472		3.0516	2.7182	2.4045	1.8199
H7	2.4197	1.7640	4.5771	3.0958	2.4045	3.0516		1.0801	3.0499	2.1688
C8	2.1725	1.0809	4.2481	2.6695	1.8198	2.7182	1.0801		2.1688	1.5371
H9	1.7640	2.4197	4.5771	3.0958	3.0515	2.4045	3.0499	2.1688		1.0801
C10	1.0809	2.1725	4.2481	2.6695	2.7181	1.8199	2.1688	1.5371	1.0801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.469	H1	C10	C8	110.963
H1	C10	H9	109.439	H2	C8	S5	108.468
H2	C8	H7	109.439	H2	C8	C10	110.964
S3	C4	S5	122.746	S3	C4	S6	122.749
C4	S5	C8	96.708	C4	S6	C10	96.706
S5	C4	S6	114.505	S5	C8	H7	109.363
S5	C8	C10	107.839	S6	C10	C8	107.842
S6	C10	H9	109.361	H7	C8	C10	110.714
C8	C10	H9	110.713

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

using model chemistry: HF/3-21G*

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	CHELPG
1	H	0.270	0.098
2	H	0.270	0.098
3	S	-0.043	-0.260
4	C	-0.533	0.220
5	S	0.379	-0.132
6	S	0.379	-0.132
7	H	0.270	0.054
8	C	-0.631	-0.000
9	H	0.270	0.054
10	C	-0.631	-0.000

	x	y	z
x	16.734	0.000	0.000
y	0.000	10.085	0.207
z	0.000	0.207	6.195

<r²>	275.457
(<r²>)^1/2	16.597

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

using model chemistry: HF/3-21G*

States and conformations

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