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	hartrees
Energy at 0K	-1310.697517
Energy at 298.15K
HF Energy	-1310.424861
Nuclear repulsion energy	422.153705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3016	6.40
2	A	3167	3004	1.54
3	A	3114	2955	15.29
4	A	3112	2953	7.76
5	A	1528	1450	0.05
6	A	1515	1438	6.87
7	A	1359	1289	23.39
8	A	1325	1257	3.24
9	A	1207	1145	4.19
10	A	1160	1100	1.14
11	A	1116	1059	263.73
12	A	1016	964	2.75
13	A	1000	949	10.78
14	A	903	856	9.65
15	A	845	801	75.91
16	A	704	668	0.49
17	A	692	657	3.93
18	A	497	472	9.37
19	A	490	465	1.93
20	A	460	437	0.68
21	A	393	373	1.06
22	A	255	242	0.09
23	A	236	224	1.71
24	A	109	103	1.31

Atom	x (Å)	y (Å)	z (Å)
H1	-2.684	-1.316	0.129
H2	-2.684	1.316	-0.129
S3	2.321	-0.000	0.000
C4	0.682	-0.000	-0.000
S5	-0.285	1.474	-0.086
S6	-0.285	-1.474	0.086
H7	-2.022	0.661	1.387
C8	-1.892	0.700	0.303
H9	-2.022	-0.661	-1.387
C10	-1.892	-0.700	-0.303

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6451	5.1772	3.6169	3.6858	2.4044	2.4346	2.1730	1.7794	1.0925
H2	2.6451		5.1772	3.6168	2.4044	3.6858	1.7794	1.0925	2.4346	2.1730
S3	5.1772	5.1772		1.6390	2.9956	2.9956	4.6069	4.2819	4.6070	4.2819
C4	3.6169	3.6168	1.6390		1.7651	1.7651	3.1102	2.6850	3.1100	2.6850
S5	3.6858	2.4044	2.9956	1.7651		2.9526	2.4176	1.8253	3.0440	2.7119
S6	2.4044	3.6858	2.9956	1.7651	2.9526		3.0439	2.7119	2.4176	1.8253
H7	2.4346	1.7794	4.6069	3.1102	2.4176	3.0439		1.0925	3.0720	2.1730
C8	2.1730	1.0925	4.2819	2.6850	1.8253	2.7119	1.0925		2.1730	1.5251
H9	1.7794	2.4346	4.6070	3.1100	3.0440	2.4176	3.0720	2.1730		1.0925
C10	1.0925	2.1730	4.2819	2.6850	2.7119	1.8253	2.1730	1.5251	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.357	H1	C10	C8	111.156
H1	C10	H9	109.050	H2	C8	S5	108.357
H2	C8	H7	109.049	H2	C8	C10	111.155
S3	C4	S5	123.239	S3	C4	S6	123.241
C4	S5	C8	96.791	C4	S6	C10	96.790
S5	C4	S6	113.520	S5	C8	H7	109.321
S5	C8	C10	107.748	S6	C10	C8	107.747
S6	C10	H9	109.321	H7	C8	C10	111.147
C8	C10	H9	111.147

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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: B2PLYP=FULLultrafine/6-31G*

States and conformations

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