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	hartrees
Energy at 0K	-1311.441264
Energy at 298.15K	-1311.446399
HF Energy	-1311.441264
Nuclear repulsion energy	422.604714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3016	6.46
2	A	3103	3002	1.65
3	A	3059	2960	18.25
4	A	3058	2958	8.30
5	A	1481	1433	0.58
6	A	1471	1423	7.56
7	A	1315	1272	16.27
8	A	1283	1241	1.76
9	A	1175	1137	5.12
10	A	1126	1089	0.27
11	A	1090	1054	286.13
12	A	991	959	0.82
13	A	962	931	12.48
14	A	872	844	11.38
15	A	818	792	65.10
16	A	676	654	0.74
17	A	664	643	3.09
18	A	490	475	9.26
19	A	478	462	2.20
20	A	455	440	1.20
21	A	384	371	1.64
22	A	244	236	0.06
23	A	220	212	1.38
24	A	108	104	1.18

Atom	x (Å)	y (Å)	z (Å)
H1	-2.680	-1.320	0.147
H2	-2.679	1.321	-0.142
S3	2.320	-0.000	0.002
C4	0.686	-0.000	-0.006
S5	-0.282	1.471	-0.085
S6	-0.282	-1.471	0.084
H7	-2.026	0.677	1.378
C8	-1.899	0.700	0.296
H9	-2.029	-0.677	-1.375
C10	-1.900	-0.700	-0.294

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6569	5.1733	3.6180	3.6866	2.4026	2.4357	2.1709	1.7753	1.0891
H2	2.6569		5.1734	3.6177	2.4027	3.6863	1.7753	1.0891	2.4359	2.1709
S3	5.1733	5.1734		1.6347	2.9906	2.9906	4.6087	4.2877	4.6120	4.2887
C4	3.6180	3.6177	1.6347		1.7627	1.7626	3.1184	2.6954	3.1147	2.6945
S5	3.6866	2.4027	2.9906	1.7627		2.9462	2.4100	1.8317	3.0544	2.7156
S6	2.4026	3.6863	2.9906	1.7626	2.9462		3.0538	2.7151	2.4099	1.8316
H7	2.4357	1.7753	4.6087	3.1184	2.4100	3.0538		1.0887	3.0675	2.1693
C8	2.1709	1.0891	4.2877	2.6954	1.8317	2.7151	1.0887		2.1694	1.5193
H9	1.7753	2.4359	4.6120	3.1147	3.0544	2.4099	3.0675	2.1694		1.0887
C10	1.0891	2.1709	4.2887	2.6945	2.7156	1.8316	2.1693	1.5193	1.0887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.985	H1	C10	C8	111.605
H1	C10	H9	109.213	H2	C8	S5	107.981
H2	C8	H7	109.208	H2	C8	C10	111.607
S3	C4	S5	123.307	S3	C4	S6	123.308
C4	S5	C8	97.143	C4	S6	C10	97.107
S5	C4	S6	113.382	S5	C8	H7	108.531
S5	C8	C10	107.902	S6	C10	C8	107.882
S6	C10	H9	108.534	H7	C8	C10	111.493
C8	C10	H9	111.503

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

using model chemistry: B3LYP/aug-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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All results from a given calculation for C3H4S3 (1,3-Dithiolane-2-thione)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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