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	hartrees
Energy at 0K	-145.926848
Energy at 298.15K	-145.931795
HF Energy	-145.498894
Nuclear repulsion energy	152.124985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3056	16.05
2	A	3160	3044	0.91
3	A	3084	2970	32.31
4	A	3079	2965	13.71
5	A	1493	1438	0.55
6	A	1481	1426	7.04
7	A	1363	1313	16.11
8	A	1339	1290	7.74
9	A	1190	1146	0.09
10	A	1152	1110	0.99
11	A	1065	1025	158.12
12	A	1007	970	5.14
13	A	992	955	7.00
14	A	892	859	5.38
15	A	743	716	78.37
16	A	657	632	1.34
17	A	629	606	3.05
18	A	472	454	4.02
19	A	443	427	16.55
20	A	439	423	2.44
21	A	374	360	0.01
22	A	262	253	0.68
23	A	206	198	2.08
24	A	86	83	2.43

Atom	x (Å)	y (Å)	z (Å)
H1	-2.299	-1.320	0.237
H2	-2.299	1.320	-0.237
S3	2.853	0.000	0.000
C4	1.166	-0.000	-0.000
S5	0.155	1.535	-0.203
S6	0.155	-1.535	0.203
H7	-1.625	0.773	1.353
C8	-1.510	0.732	0.259
H9	-1.625	-0.773	-1.353
C10	-1.510	-0.732	-0.259

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6825	5.3238	3.7155	3.7906	2.4642	2.4658	2.1983	1.8119	1.1021
H2	2.6825		5.3238	3.7155	2.4642	3.7906	1.8119	1.1021	2.4658	2.1983
S3	5.3238	5.3238		1.6871	3.1101	3.1101	4.7410	4.4315	4.7413	4.4316
C4	3.7155	3.7155	1.6871		1.8486	1.8486	3.1964	2.7863	3.1961	2.7862
S5	3.7906	2.4642	3.1101	1.8486		3.0961	2.4843	1.9059	3.1332	2.8131
S6	2.4642	3.7906	3.1101	1.8486	3.0961		3.1331	2.8131	2.4843	1.9059
H7	2.4658	1.8119	4.7410	3.1964	2.4843	3.1331		1.1011	3.1164	2.2077
C8	2.1983	1.1021	4.4315	2.7863	1.9059	2.8131	1.1011		2.2078	1.5520
H9	1.8119	2.4658	4.7413	3.1961	3.1332	2.4843	3.1164	2.2078		1.1012
C10	1.1021	2.1983	4.4316	2.7862	2.8131	1.9059	2.2077	1.5520	1.1012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	106.957	H1	C10	C8	110.699
H1	C10	H9	110.647	H2	C8	S5	106.957
H2	C8	H7	110.644	H2	C8	C10	110.697
S3	C4	S5	123.130	S3	C4	S6	123.132
C4	S5	C8	95.812	C4	S6	C10	95.809
S5	C4	S6	113.738	S5	C8	H7	108.427
S5	C8	C10	108.452	S6	C10	C8	108.448
S6	C10	H9	108.425	H7	C8	C10	111.504
C8	C10	H9	111.504

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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