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	hartrees
Energy at 0K	-1311.299294
Energy at 298.15K	-1311.304219
Nuclear repulsion energy	416.866482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3046	3034	11.77
2	A	3031	3019	1.96
3	A	2987	2975	20.45
4	A	2985	2974	11.15
5	A	1442	1436	0.38
6	A	1430	1425	7.18
7	A	1280	1275	21.05
8	A	1246	1241	3.97
9	A	1136	1132	5.26
10	A	1095	1091	1.77
11	A	1038	1034	280.76
12	A	954	951	1.85
13	A	935	931	12.93
14	A	840	837	3.87
15	A	754	751	82.72
16	A	634	631	0.62
17	A	618	615	3.56
18	A	461	459	3.39
19	A	455	453	11.35
20	A	434	433	2.79
21	A	373	372	0.83
22	A	238	237	0.72
23	A	221	220	1.49
24	A	103	102	1.28

Atom	x (Å)	y (Å)	z (Å)
H1	-2.712	-1.332	0.130
H2	-2.712	1.332	-0.130
S3	2.350	-0.000	0.000
C4	0.698	-0.000	-0.000
S5	-0.287	1.493	-0.086
S6	-0.287	-1.493	0.086
H7	-2.041	0.672	1.395
C8	-1.924	0.703	0.305
H9	-2.041	-0.672	-1.395
C10	-1.924	-0.703	-0.305

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6774	5.2356	3.6628	3.7297	2.4305	2.4636	2.1894	1.7924	1.0979
H2	2.6774		5.2356	3.6628	2.4305	3.7297	1.7924	1.0979	2.4635	2.1894
S3	5.2356	5.2356		1.6522	3.0315	3.0315	4.6560	4.3421	4.6560	4.3421
C4	3.6628	3.6628	1.6522		1.7908	1.7908	3.1464	2.7315	3.1461	2.7314
S5	3.7297	2.4305	3.0315	1.7908		2.9916	2.4383	1.8595	3.0791	2.7481
S6	2.4305	3.7297	3.0315	1.7908	2.9916		3.0791	2.7481	2.4383	1.8595
H7	2.4636	1.7924	4.6560	3.1464	2.4383	3.0791		1.0973	3.0977	2.1898
C8	2.1894	1.0979	4.3421	2.7315	1.8595	2.7481	1.0973		2.1898	1.5324
H9	1.7924	2.4635	4.6560	3.1461	3.0791	2.4383	3.0977	2.1898		1.0973
C10	1.0979	2.1894	4.3421	2.7314	2.7481	1.8595	2.1898	1.5324	1.0973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.741	H1	C10	C8	111.619
H1	C10	H9	109.474	H2	C8	S5	107.741
H2	C8	H7	109.473	H2	C8	C10	111.616
S3	C4	S5	123.354	S3	C4	S6	123.355
C4	S5	C8	96.869	C4	S6	C10	96.866
S5	C4	S6	113.291	S5	C8	H7	108.332
S5	C8	C10	107.842	S6	C10	C8	107.842
S6	C10	H9	108.330	H7	C8	C10	111.690
C8	C10	H9	111.688

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

using model chemistry: BLYP/6-311G**

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	0.165
2	H	0.165
3	S	-0.037
4	C	-0.463
5	S	0.275
6	S	0.275
7	H	0.175
8	C	-0.365
9	H	0.175
10	C	-0.365

	x	y	z
x	19.781	-0.000	0.000
y	-0.000	13.632	-0.339
z	0.000	-0.339	7.154

<r²>	284.625
(<r²>)^1/2	16.871

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

using model chemistry: BLYP/6-311G**

States and conformations

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