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	hartrees
Energy at 0K	-1307.495219
Energy at 298.15K	-1307.500340
Nuclear repulsion energy	425.105823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3079	3022	1.13
2	A	3069	3012	0.26
3	A	3009	2952	4.89
4	A	3006	2950	5.53
5	A	1415	1388	3.43
6	A	1401	1374	14.03
7	A	1273	1249	15.22
8	A	1229	1206	3.58
9	A	1156	1134	27.29
10	A	1116	1096	225.33
11	A	1091	1071	1.34
12	A	1000	982	6.15
13	A	934	916	3.38
14	A	872	856	36.81
15	A	823	807	45.41
16	A	689	676	1.73
17	A	689	676	0.78
18	A	500	490	6.31
19	A	475	466	1.82
20	A	443	435	0.80
21	A	387	380	0.66
22	A	241	237	1.81
23	A	238	233	0.09
24	A	112	109	1.30

Atom	x (Å)	y (Å)	z (Å)
H1	-2.685	-1.316	0.078
H2	-2.685	1.316	-0.077
S3	2.309	-0.000	0.000
C4	0.675	0.000	0.000
S5	-0.288	1.462	-0.088
S6	-0.288	-1.462	0.088
H7	-1.968	0.618	1.414
C8	-1.873	0.683	0.316
H9	-1.968	-0.618	-1.414
C10	-1.873	-0.683	-0.316

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6371	5.1656	3.6098	3.6728	2.4015	2.4580	2.1709	1.7963	1.1028
H2	2.6371		5.1656	3.6098	2.4015	3.6729	1.7963	1.1028	2.4580	2.1709
S3	5.1656	5.1656		1.6341	2.9817	2.9817	4.5473	4.2494	4.5474	4.2494
C4	3.6098	3.6098	1.6341		1.7527	1.7527	3.0608	2.6569	3.0609	2.6569
S5	3.6728	2.4015	2.9817	1.7527		2.9285	2.4066	1.8116	2.9840	2.6762
S6	2.4015	3.6729	2.9817	1.7527	2.9285		2.9840	2.6762	2.4066	1.8116
H7	2.4580	1.7963	4.5473	3.0608	2.4066	2.9840		1.1038	3.0865	2.1669
C8	2.1709	1.1028	4.2494	2.6569	1.8116	2.6762	1.1038		2.1669	1.5050
H9	1.7963	2.4580	4.5474	3.0609	2.9840	2.4066	3.0865	2.1669		1.1038
C10	1.1028	2.1709	4.2494	2.6569	2.6762	1.8116	2.1669	1.5050	1.1038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.518	H1	C10	C8	111.782
H1	C10	H9	108.987	H2	C8	S5	108.518
H2	C8	H7	108.987	H2	C8	C10	111.783
S3	C4	S5	123.341	S3	C4	S6	123.340
C4	S5	C8	96.375	C4	S6	C10	96.376
S5	C4	S6	113.319	S5	C8	H7	108.837
S5	C8	C10	107.227	S6	C10	C8	107.227
S6	C10	H9	108.838	H7	C8	C10	111.396
C8	C10	H9	111.396

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

using model chemistry: LSDA/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	0.197
2	H	0.197
3	S	-0.095
4	C	-0.374
5	S	0.282
6	S	0.282
7	H	0.205
8	C	-0.449
9	H	0.205
10	C	-0.449

	x	y	z
x	17.914	0.000	0.000
y	0.000	12.069	-0.221
z	0.000	-0.221	7.120

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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