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	hartrees
Energy at 0K	-1309.763915
Energy at 298.15K	-1309.769263
HF Energy	-1308.540865
Nuclear repulsion energy	424.856969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3013	6.00
2	A	3168	3001	0.89
3	A	3107	2942	14.42
4	A	3104	2940	8.12
5	A	1511	1432	0.92
6	A	1498	1419	10.04
7	A	1366	1293	20.06
8	A	1329	1259	8.44
9	A	1208	1144	20.32
10	A	1172	1110	2.95
11	A	1160	1098	243.65
12	A	1030	976	5.26
13	A	1002	949	4.52
14	A	909	861	11.26
15	A	858	812	82.54
16	A	725	687	0.50
17	A	719	681	2.80
18	A	508	481	17.01
19	A	504	477	3.88
20	A	464	440	2.62
21	A	400	379	0.62
22	A	268	254	0.52
23	A	258	245	1.97
24	A	103	98	1.71

Atom	x (Å)	y (Å)	z (Å)
H1	2.675	1.310	0.065
H2	2.675	-1.310	-0.065
S3	-2.305	-0.000	0.000
C4	-0.674	0.000	-0.000
S5	0.289	-1.469	-0.090
S6	0.289	1.469	0.089
H7	1.960	-0.604	1.410
C8	1.868	-0.686	0.325
H9	1.960	0.604	-1.410
C10	1.868	0.686	-0.325

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6235	5.1498	3.5970	3.6668	2.3921	2.4469	2.1688	1.7849	1.0928
H2	2.6235		5.1498	3.5970	2.3921	3.6669	1.7848	1.0928	2.4470	2.1688
S3	5.1498	5.1498		1.6307	2.9819	2.9819	4.5319	4.2407	4.5320	4.2407
C4	3.5970	3.5970	1.6307		1.7588	1.7588	3.0480	2.6524	3.0479	2.6524
S5	3.6668	2.3921	2.9819	1.7588		2.9441	2.4061	1.8107	2.9727	2.6819
S6	2.3921	3.6669	2.9819	1.7588	2.9441		2.9727	2.6820	2.4061	1.8108
H7	2.4469	1.7848	4.5319	3.0480	2.4061	2.9727		1.0921	3.0684	2.1641
C8	2.1688	1.0928	4.2407	2.6524	1.8107	2.6820	1.0921		2.1641	1.5177
H9	1.7849	2.4470	4.5320	3.0479	2.9727	2.4061	3.0684	2.1641		1.0922
C10	1.0928	2.1688	4.2407	2.6524	2.6819	1.8108	2.1641	1.5177	1.0922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.400	H1	C10	C8	111.322
H1	C10	H9	109.550	H2	C8	S5	108.399
H2	C8	H7	109.548	H2	C8	C10	111.324
S3	C4	S5	123.180	S3	C4	S6	123.182
C4	S5	C8	95.977	C4	S6	C10	95.973
S5	C4	S6	113.638	S5	C8	H7	109.463
S5	C8	C10	107.040	S6	C10	C8	107.041
S6	C10	H9	109.461	H7	C8	C10	110.988
C8	C10	H9	110.989

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

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

States and conformations

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