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	hartrees
Energy at 0K	-1309.346173
Energy at 298.15K	-1309.351513
HF Energy	-1308.540825
Nuclear repulsion energy	424.491626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3020	6.21
2	A	3165	3008	0.92
3	A	3104	2949	14.72
4	A	3101	2947	8.23
5	A	1511	1436	0.81
6	A	1498	1423	9.77
7	A	1364	1296	20.31
8	A	1327	1262	8.26
9	A	1206	1146	20.23
10	A	1170	1112	2.93
11	A	1157	1100	244.13
12	A	1027	976	5.44
13	A	1001	951	4.45
14	A	908	863	11.10
15	A	856	814	82.95
16	A	724	688	0.48
17	A	717	681	2.93
18	A	507	482	17.07
19	A	503	478	3.84
20	A	463	440	2.57
21	A	400	380	0.61
22	A	268	254	0.52
23	A	258	245	1.96
24	A	103	98	1.72

Atom	x (Å)	y (Å)	z (Å)
H1	-2.669	1.313	-0.082
H2	-2.669	-1.314	0.078
S3	2.303	0.000	-0.001
C4	0.673	0.000	0.005
S5	-0.287	-1.473	0.089
S6	-0.287	1.473	-0.089
H7	-1.966	-0.616	-1.410
C8	-1.869	-0.687	-0.325
H9	-1.969	0.616	1.408
C10	-1.870	0.686	0.322

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6318	5.1436	3.5921	3.6702	2.3876	2.4456	2.1675	1.7874	1.0928
H2	2.6318		5.1435	3.5920	2.3876	3.6700	1.7873	1.0928	2.4458	2.1675
S3	5.1436	5.1435		1.6300	2.9812	2.9812	4.5379	4.2412	4.5408	4.2421
C4	3.5921	3.5920	1.6300		1.7608	1.7608	3.0576	2.6544	3.0543	2.6536
S5	3.6702	2.3876	2.9812	1.7608		2.9520	2.4091	1.8153	2.9890	2.6883
S6	2.3876	3.6700	2.9812	1.7608	2.9520		2.9885	2.6879	2.4091	1.8152
H7	2.4456	1.7873	4.5379	3.0576	2.4091	2.9885		1.0921	3.0753	2.1695
C8	2.1675	1.0928	4.2412	2.6544	1.8153	2.6879	1.0921		2.1696	1.5178
H9	1.7874	2.4458	4.5408	3.0543	2.9890	2.4091	3.0753	2.1696		1.0921
C10	1.0928	2.1675	4.2421	2.6536	2.6883	1.8152	2.1695	1.5178	1.0921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.774	H1	C10	C8	111.206
H1	C10	H9	109.776	H2	C8	S5	107.770
H2	C8	H7	109.771	H2	C8	C10	111.209
S3	C4	S5	123.041	S3	C4	S6	123.042
C4	S5	C8	95.836	C4	S6	C10	95.800
S5	C4	S6	113.914	S5	C8	H7	109.378
S5	C8	C10	107.183	S6	C10	C8	107.166
S6	C10	H9	109.381	H7	C8	C10	111.414
C8	C10	H9	111.424

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)