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	hartrees
Energy at 0K	-1309.376467
Energy at 298.15K	-1309.381818
HF Energy	-1308.546685
Nuclear repulsion energy	424.552123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3020	6.67
2	A	3166	3008	1.28
3	A	3104	2950	14.84
4	A	3102	2948	8.82
5	A	1489	1415	0.16
6	A	1474	1400	6.75
7	A	1355	1288	21.19
8	A	1319	1253	6.07
9	A	1200	1140	32.12
10	A	1160	1102	2.48
11	A	1157	1099	231.34
12	A	1025	974	4.31
13	A	992	943	5.50
14	A	904	859	13.71
15	A	853	811	76.31
16	A	725	689	0.34
17	A	720	684	2.89
18	A	506	481	17.35
19	A	502	477	4.10
20	A	462	439	2.36
21	A	400	380	0.58
22	A	268	254	0.46
23	A	259	246	1.70
24	A	103	97	1.49

Atom	x (Å)	y (Å)	z (Å)
H1	2.677	1.310	0.065
H2	2.677	-1.311	-0.065
S3	-2.306	-0.000	0.000
C4	-0.675	0.000	-0.000
S5	0.289	-1.471	-0.090
S6	0.289	1.471	0.090
H7	1.958	-0.602	1.412
C8	1.868	-0.687	0.326
H9	1.958	0.602	-1.412
C10	1.868	0.687	-0.326

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6242	5.1528	3.5993	3.6688	2.3932	2.4474	2.1706	1.7887	1.0935
H2	2.6242		5.1528	3.5993	2.3932	3.6689	1.7887	1.0935	2.4474	2.1706
S3	5.1528	5.1528		1.6313	2.9844	2.9844	4.5313	4.2428	4.5313	4.2428
C4	3.5993	3.5993	1.6313		1.7609	1.7608	3.0470	2.6540	3.0469	2.6540
S5	3.6688	2.3932	2.9844	1.7609		2.9471	2.4066	1.8111	2.9712	2.6841
S6	2.3932	3.6689	2.9844	1.7608	2.9471		2.9713	2.6841	2.4066	1.8111
H7	2.4474	1.7887	4.5313	3.0470	2.4066	2.9713		1.0928	3.0695	2.1653
C8	2.1706	1.0935	4.2428	2.6540	1.8111	2.6841	1.0928		2.1653	1.5205
H9	1.7887	2.4474	4.5313	3.0469	2.9712	2.4066	3.0695	2.1653		1.0928
C10	1.0935	2.1706	4.2428	2.6540	2.6841	1.8111	2.1653	1.5205	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.422	H1	C10	C8	111.230
H1	C10	H9	109.799	H2	C8	S5	108.421
H2	C8	H7	109.797	H2	C8	C10	111.232
S3	C4	S5	123.190	S3	C4	S6	123.192
C4	S5	C8	95.970	C4	S6	C10	95.967
S5	C4	S6	113.618	S5	C8	H7	109.439
S5	C8	C10	107.024	S6	C10	C8	107.026
S6	C10	H9	109.437	H7	C8	C10	110.846
C8	C10	H9	110.846

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

using model chemistry: MP2/6-311G**

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

using model chemistry: MP2/6-311G**

States and conformations

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