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	hartrees
Energy at 0K	-49.391482
Energy at 298.15K	-49.396737
HF Energy	-48.599504
Nuclear repulsion energy	109.406005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3026	9.38
2	A	3163	3014	1.69
3	A	3095	2949	21.92
4	A	3092	2946	10.99
5	A	1513	1441	0.22
6	A	1499	1428	8.63
7	A	1355	1291	24.48
8	A	1316	1254	5.15
9	A	1195	1138	16.94
10	A	1151	1097	1.41
11	A	1145	1091	223.23
12	A	1015	967	5.48
13	A	991	944	3.13
14	A	902	860	16.22
15	A	851	811	77.93
16	A	718	684	0.29
17	A	712	678	3.86
18	A	499	476	14.41
19	A	489	466	2.90
20	A	453	432	1.48
21	A	388	370	0.59
22	A	256	244	0.23
23	A	251	239	1.81
24	A	103	98	1.67

Atom	x (Å)	y (Å)	z (Å)
H1	-2.364	-1.311	0.146
H2	-2.364	1.311	-0.146
S3	2.657	-0.000	0.000
C4	1.012	-0.000	-0.000
S5	0.039	1.476	-0.178
S6	0.039	-1.476	0.178
H7	-1.646	0.693	1.376
C8	-1.555	0.710	0.285
H9	-1.646	-0.693	-1.376
C10	-1.555	-0.710	-0.285

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6380	5.1911	3.6245	3.6938	2.4088	2.4581	2.1813	1.7928	1.0954
H2	2.6380		5.1910	3.6245	2.4088	3.6937	1.7927	1.0954	2.4581	2.1813
S3	5.1911	5.1910		1.6447	3.0102	3.0102	4.5708	4.2814	4.5709	4.2814
C4	3.6245	3.6245	1.6447		1.7764	1.7764	3.0730	2.6794	3.0728	2.6794
S5	3.6938	2.4088	3.0102	1.7764		2.9725	2.4225	1.8283	2.9967	2.7080
S6	2.4088	3.6937	3.0102	1.7764	2.9725		2.9967	2.7080	2.4224	1.8283
H7	2.4581	1.7927	4.5708	3.0730	2.4225	2.9967		1.0949	3.0815	2.1765
C8	2.1813	1.0954	4.2814	2.6794	1.8283	2.7080	1.0949		2.1765	1.5310
H9	1.7928	2.4581	4.5709	3.0728	2.9967	2.4224	3.0815	2.1765		1.0949
C10	1.0954	2.1813	4.2814	2.6794	2.7080	1.8283	2.1765	1.5310	1.0949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.331	H1	C10	C8	111.228
H1	C10	H9	109.867	H2	C8	S5	108.330
H2	C8	H7	109.866	H2	C8	C10	111.227
S3	C4	S5	123.211	S3	C4	S6	123.212
C4	S5	C8	96.016	C4	S6	C10	96.014
S5	C4	S6	113.577	S5	C8	H7	109.350
S5	C8	C10	107.107	S6	C10	C8	107.105
S6	C10	H9	109.350	H7	C8	C10	110.873
C8	C10	H9	110.873

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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