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	hartrees
Energy at 0K	-1302.921666
Energy at 298.15K	-1302.926922
HF Energy	-1302.277181
Nuclear repulsion energy	421.378836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3029	3.00
2	A	3169	3014	0.39
3	A	3116	2964	7.58
4	A	3113	2961	3.91
5	A	1562	1486	0.31
6	A	1558	1482	10.95
7	A	1388	1321	18.46
8	A	1359	1293	5.60
9	A	1220	1161	1.63
10	A	1201	1143	1.02
11	A	1137	1082	201.61
12	A	1016	967	7.43
13	A	973	926	2.02
14	A	914	869	4.26
15	A	822	782	88.13
16	A	697	663	0.74
17	A	682	649	4.24
18	A	500	475	2.63
19	A	490	466	15.12
20	A	470	447	1.12
21	A	401	381	0.22
22	A	267	254	0.16
23	A	236	225	1.96
24	A	102	97	1.60

Atom	x (Å)	y (Å)	z (Å)
H1	-2.691	-1.321	0.102
H2	-2.691	1.321	-0.102
S3	2.315	-0.000	0.000
C4	0.678	-0.000	-0.000
S5	-0.283	1.484	-0.089
S6	-0.283	-1.484	0.089
H7	-1.999	0.638	1.403
C8	-1.889	0.705	0.317
H9	-1.999	-0.638	-1.403
C10	-1.889	-0.705	-0.317

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6505	5.1782	3.6195	3.7012	2.4129	2.4521	2.1898	1.7913	1.0940
H2	2.6505		5.1782	3.6195	2.4129	3.7012	1.7913	1.0940	2.4521	2.1898
S3	5.1782	5.1782		1.6376	2.9933	2.9933	4.5809	4.2751	4.5810	4.2751
C4	3.6195	3.6195	1.6376		1.7696	1.7696	3.0884	2.6809	3.0883	2.6809
S5	3.7012	2.4129	2.9933	1.7696		2.9723	2.4252	1.8304	3.0287	2.7245
S6	2.4129	3.7012	2.9933	1.7696	2.9723		3.0287	2.7245	2.4252	1.8304
H7	2.4521	1.7913	4.5809	3.0884	2.4252	3.0287		1.0933	3.0827	2.1854
C8	2.1898	1.0940	4.2751	2.6809	1.8304	2.7245	1.0933		2.1854	1.5466
H9	1.7913	2.4521	4.5810	3.0883	3.0287	2.4252	3.0827	2.1854		1.0933
C10	1.0940	2.1898	4.2751	2.6809	2.7245	1.8304	2.1854	1.5466	1.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.563	H1	C10	C8	110.888
H1	C10	H9	109.963	H2	C8	S5	108.562
H2	C8	H7	109.962	H2	C8	C10	110.887
S3	C4	S5	122.878	S3	C4	S6	122.880
C4	S5	C8	96.248	C4	S6	C10	96.248
S5	C4	S6	114.241	S5	C8	H7	109.505
S5	C8	C10	107.269	S6	C10	C8	107.268
S6	C10	H9	109.503	H7	C8	C10	110.587
C8	C10	H9	110.587

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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