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	hartrees
Energy at 0K	-1311.204212
Energy at 298.15K	-1311.209111
Nuclear repulsion energy	418.192720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3051	3034	8.35
2	A	3035	3018	1.89
3	A	2989	2973	17.98
4	A	2987	2970	8.77
5	A	1434	1426	0.06
6	A	1425	1417	3.72
7	A	1269	1262	22.10
8	A	1232	1226	1.29
9	A	1125	1119	8.76
10	A	1082	1076	0.55
11	A	1051	1045	238.95
12	A	955	950	0.58
13	A	927	922	8.47
14	A	833	829	5.14
15	A	771	767	75.11
16	A	642	639	0.86
17	A	628	625	3.08
18	A	464	461	8.09
19	A	458	455	1.45
20	A	437	434	0.68
21	A	370	368	0.88
22	A	231	230	0.08
23	A	210	208	1.29
24	A	104	104	1.13

Atom	x (Å)	y (Å)	z (Å)
H1	2.705	1.335	0.155
H2	2.705	-1.335	-0.155
S3	-2.344	0.000	0.000
C4	-0.695	0.000	0.000
S5	0.284	-1.484	-0.085
S6	0.284	1.484	0.085
H7	2.054	-0.693	1.387
C8	1.922	-0.709	0.295
H9	2.054	0.693	-1.387
C10	1.922	0.709	-0.295

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6890	5.2249	3.6567	3.7245	2.4270	2.4604	2.1935	1.7930	1.0998
H2	2.6890		5.2249	3.6567	2.4270	3.7245	1.7930	1.0998	2.4604	2.1935
S3	5.2249	5.2249		1.6484	3.0190	3.0190	4.6629	4.3343	4.6629	4.3343
C4	3.6567	3.6567	1.6484		1.7802	1.7802	3.1561	2.7276	3.1561	2.7276
S5	3.7245	2.4270	3.0190	1.7802		2.9733	2.4340	1.8519	3.0932	2.7453
S6	2.4270	3.7245	3.0190	1.7802	2.9733		3.0932	2.7453	2.4340	1.8519
H7	2.4604	1.7930	4.6629	3.1561	2.4340	3.0932		1.0993	3.1000	2.1932
C8	2.1935	1.0998	4.3343	2.7276	1.8519	2.7453	1.0993		2.1932	1.5354
H9	1.7930	2.4604	4.6629	3.1561	3.0932	2.4340	3.1000	2.1932		1.0993
C10	1.0998	2.1935	4.3343	2.7276	2.7453	1.8519	2.1932	1.5354	1.0993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.887	H1	C10	C8	111.622
H1	C10	H9	109.244	H2	C8	S5	107.887
H2	C8	H7	109.244	H2	C8	C10	111.622
S3	C4	S5	123.370	S3	C4	S6	123.370
C4	S5	C8	97.331	C4	S6	C10	97.331
S5	C4	S6	113.260	S5	C8	H7	108.413
S5	C8	C10	107.920	S6	C10	C8	107.920
S6	C10	H9	108.413	H7	C8	C10	111.625
C8	C10	H9	111.625

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.132
2	H	0.132
3	S	-0.305
4	C	0.203
5	S	-0.032
6	S	-0.032
7	H	0.140
8	C	-0.189
9	H	0.140
10	C	-0.189

	x	y	z
x	18.757	0.000	0.000
y	0.000	13.020	0.195
z	0.000	0.195	8.009

<r²>	282.208
(<r²>)^1/2	16.799

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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