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	hartrees
Energy at 0K	-1307.501834
Energy at 298.15K	-1307.506965
Nuclear repulsion energy	425.056712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3026	1.50
2	A	3062	3017	0.54
3	A	3001	2956	6.71
4	A	2999	2954	8.74
5	A	1408	1387	4.50
6	A	1393	1373	16.53
7	A	1268	1249	14.57
8	A	1229	1210	4.52
9	A	1151	1134	22.38
10	A	1110	1094	237.51
11	A	1087	1070	0.75
12	A	999	984	6.71
13	A	934	920	4.60
14	A	871	858	32.58
15	A	823	810	44.09
16	A	688	678	1.54
17	A	687	677	0.79
18	A	499	492	7.00
19	A	478	471	3.53
20	A	444	438	1.33
21	A	386	381	0.66
22	A	244	240	1.71
23	A	239	236	0.32
24	A	110	109	1.44

Atom	x (Å)	y (Å)	z (Å)
H1	2.686	1.316	0.075
H2	2.686	-1.316	-0.075
S3	-2.310	0.000	0.000
C4	-0.674	0.000	0.000
S5	0.288	-1.462	-0.089
S6	0.288	1.462	0.089
H7	1.968	-0.615	1.416
C8	1.873	-0.682	0.317
H9	1.968	0.615	-1.416
C10	1.873	0.682	-0.317

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6360	5.1674	3.6100	3.6730	2.4024	2.4585	2.1712	1.7971	1.1033
H2	2.6360		5.1674	3.6100	2.4024	3.6730	1.7971	1.1033	2.4585	2.1712
S3	5.1674	5.1674		1.6357	2.9827	2.9827	4.5478	4.2499	4.5478	4.2500
C4	3.6100	3.6100	1.6357		1.7524	1.7524	3.0600	2.6560	3.0601	2.6560
S5	3.6730	2.4024	2.9827	1.7524		2.9284	2.4081	1.8115	2.9824	2.6756
S6	2.4024	3.6730	2.9827	1.7524	2.9284		2.9824	2.6756	2.4081	1.8115
H7	2.4585	1.7971	4.5478	3.0600	2.4081	2.9824		1.1046	3.0876	2.1674
C8	2.1712	1.1033	4.2499	2.6560	1.8115	2.6756	1.1046		2.1674	1.5053
H9	1.7971	2.4585	4.5478	3.0601	2.9824	2.4081	3.0876	2.1674		1.1046
C10	1.1033	2.1712	4.2500	2.6560	2.6756	1.8115	2.1674	1.5053	1.1046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.562	H1	C10	C8	111.753
H1	C10	H9	108.971	H2	C8	S5	108.562
H2	C8	H7	108.971	H2	C8	C10	111.753
S3	C4	S5	123.329	S3	C4	S6	123.329
C4	S5	C8	96.344	C4	S6	C10	96.344
S5	C4	S6	113.342	S5	C8	H7	108.916
S5	C8	C10	107.184	S6	C10	C8	107.184
S6	C10	H9	108.916	H7	C8	C10	111.368
C8	C10	H9	111.368

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

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

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	0.235
2	H	0.235
3	S	-0.014
4	C	-0.582
5	S	0.368
6	S	0.368
7	H	0.252
8	C	-0.557
9	H	0.252
10	C	-0.557

	x	y	z
x	19.650	0.038	0.025
y	0.038	13.897	0.168
z	0.025	0.168	9.133

<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/6-31+G**

States and conformations

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