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	hartrees
Energy at 0K	-1311.331750
Energy at 298.15K	-1311.336661
Nuclear repulsion energy	418.247579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3040	3031	10.99
2	A	3025	3016	1.86
3	A	2985	2976	21.07
4	A	2984	2975	10.79
5	A	1442	1437	0.22
6	A	1434	1429	5.92
7	A	1273	1269	17.74
8	A	1238	1234	1.73
9	A	1131	1128	4.15
10	A	1089	1085	0.62
11	A	1041	1038	239.35
12	A	952	949	0.89
13	A	930	927	10.75
14	A	835	833	3.99
15	A	764	762	72.72
16	A	636	634	0.94
17	A	620	618	2.50
18	A	460	459	9.03
19	A	456	455	1.74
20	A	435	434	1.13
21	A	370	369	0.94
22	A	231	230	0.10
23	A	211	210	1.18
24	A	105	104	1.02

Atom	x (Å)	y (Å)	z (Å)
H1	2.702	1.332	0.153
H2	2.702	-1.332	-0.153
S3	-2.344	0.000	0.000
C4	-0.695	0.000	0.000
S5	0.284	-1.485	-0.084
S6	0.284	1.485	0.084
H7	2.052	-0.689	1.382
C8	1.923	-0.706	0.295
H9	2.052	0.689	-1.382
C10	1.923	0.706	-0.295

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6810	5.2211	3.6521	3.7199	2.4239	2.4531	2.1860	1.7866	1.0956
H2	2.6810		5.2211	3.6521	2.4239	3.7199	1.7865	1.0956	2.4531	2.1860
S3	5.2211	5.2211		1.6490	3.0197	3.0197	4.6596	4.3347	4.6597	4.3347
C4	3.6521	3.6521	1.6490		1.7807	1.7807	3.1516	2.7272	3.1517	2.7272
S5	3.7199	2.4239	3.0197	1.7807		2.9747	2.4309	1.8537	3.0886	2.7439
S6	2.4239	3.7199	3.0197	1.7807	2.9747		3.0886	2.7439	2.4309	1.8538
H7	2.4531	1.7865	4.6596	3.1516	2.4309	3.0886		1.0949	3.0890	2.1853
C8	2.1860	1.0956	4.3347	2.7272	1.8537	2.7439	1.0949		2.1853	1.5297
H9	1.7866	2.4531	4.6597	3.1517	3.0886	2.4309	3.0890	2.1853		1.0949
C10	1.0956	2.1860	4.3347	2.7272	2.7439	1.8538	2.1853	1.5297	1.0949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.759	H1	C10	C8	111.683
H1	C10	H9	109.297	H2	C8	S5	107.759
H2	C8	H7	109.296	H2	C8	C10	111.683
S3	C4	S5	123.354	S3	C4	S6	123.355
C4	S5	C8	97.225	C4	S6	C10	97.227
S5	C4	S6	113.291	S5	C8	H7	108.290
S5	C8	C10	108.000	S6	C10	C8	108.000
S6	C10	H9	108.289	H7	C8	C10	111.670
C8	C10	H9	111.671

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

using model chemistry: BLYP/cc-pVTZ

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	0.111
2	H	0.111
3	S	-0.187
4	C	-0.071
5	S	0.076
6	S	0.076
7	H	0.117
8	C	-0.175
9	H	0.117
10	C	-0.175

<r²>	282.585
(<r²>)^1/2	16.810

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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