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	hartrees
Energy at 0K	-1308.585844
Energy at 298.15K	-1308.591385
Nuclear repulsion energy	426.825825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	2968	10.38
2	A	3250	2953	2.94
3	A	3208	2915	28.37
4	A	3202	2910	9.52
5	A	1613	1465	0.08
6	A	1598	1452	6.92
7	A	1440	1308	19.34
8	A	1412	1283	1.73
9	A	1290	1172	9.50
10	A	1224	1112	0.11
11	A	1184	1076	430.69
12	A	1061	964	1.89
13	A	1051	955	25.16
14	A	976	887	28.37
15	A	912	828	41.11
16	A	752	683	0.46
17	A	741	673	6.34
18	A	540	491	8.58
19	A	531	482	1.64
20	A	501	455	0.25
21	A	413	376	5.62
22	A	272	247	0.03
23	A	239	217	2.28
24	A	116	105	1.40

Atom	x (Å)	y (Å)	z (Å)
H1	2.650	-1.315	-0.157
H2	2.650	1.315	0.157
S3	-2.293	-0.000	0.000
C4	-0.676	0.000	0.000
S5	0.276	1.455	0.083
S6	0.276	-1.455	-0.083
H7	2.021	0.684	-1.360
C8	1.880	0.703	-0.289
H9	2.021	-0.684	1.360
C10	1.880	-0.703	0.289

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6495	5.1178	3.5805	3.6563	2.3790	2.4164	2.1641	1.7595	1.0808
H2	2.6495		5.1178	3.5805	2.3790	3.6563	1.7595	1.0808	2.4164	2.1641
S3	5.1178	5.1178		1.6170	2.9542	2.9542	4.5748	4.2416	4.5748	4.2416
C4	3.5805	3.5805	1.6170		1.7412	1.7412	3.0970	2.6665	3.0970	2.6665
S5	3.6563	2.3790	2.9542	1.7412		2.9151	2.3920	1.8100	3.0409	2.6961
S6	2.3790	3.6563	2.9542	1.7412	2.9151		3.0409	2.6961	2.3920	1.8100
H7	2.4164	1.7595	4.5748	3.0970	2.3920	3.0409		1.0802	3.0441	2.1588
C8	2.1641	1.0808	4.2416	2.6665	1.8100	2.6961	1.0802		2.1588	1.5194
H9	1.7595	2.4164	4.5748	3.0970	3.0409	2.3920	3.0441	2.1588		1.0802
C10	1.0808	2.1641	4.2416	2.6665	2.6961	1.8100	2.1588	1.5194	1.0802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.102	H1	C10	C8	111.552
H1	C10	H9	109.023	H2	C8	S5	108.102
H2	C8	H7	109.023	H2	C8	C10	111.552
S3	C4	S5	123.168	S3	C4	S6	123.168
C4	S5	C8	97.314	C4	S6	C10	97.314
S5	C4	S6	113.665	S5	C8	H7	109.088
S5	C8	C10	107.831	S6	C10	C8	107.830
S6	C10	H9	109.088	H7	C8	C10	111.163
C8	C10	H9	111.163

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.140
2	H	0.140
3	S	-0.591
4	C	0.842
5	S	-0.349
6	S	-0.349
7	H	0.158
8	C	-0.075
9	H	0.158
10	C	-0.075

	x	y	z
x	18.911	0.000	0.000
y	0.000	13.214	0.130
z	0.000	0.130	9.436

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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