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	hartrees
Energy at 0K	-1309.383039
Energy at 298.15K	-1309.388317
HF Energy	-1308.550320
Nuclear repulsion energy	423.262378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3024	6.69
2	A	3177	3012	1.53
3	A	3114	2952	16.05
4	A	3112	2950	8.91
5	A	1493	1415	0.26
6	A	1477	1400	7.01
7	A	1357	1286	22.13
8	A	1316	1247	3.73
9	A	1195	1132	10.99
10	A	1152	1092	1.31
11	A	1140	1080	215.24
12	A	1024	970	5.37
13	A	986	934	6.60
14	A	898	851	11.24
15	A	845	801	78.81
16	A	715	678	0.31
17	A	709	672	3.15
18	A	500	474	15.91
19	A	491	466	2.68
20	A	453	429	1.67
21	A	391	370	0.58
22	A	259	245	0.24
23	A	252	239	1.56
24	A	98	93	1.52

Atom	x (Å)	y (Å)	z (Å)
H1	2.713	1.287	0.031
H2	2.713	-1.287	-0.023
S3	-2.314	-0.000	0.001
C4	-0.651	0.000	-0.001
S5	0.284	-1.464	-0.093
S6	0.283	1.465	0.089
H7	1.941	-0.581	1.415
C8	1.878	-0.683	0.331
H9	1.947	0.580	-1.411
C10	1.879	0.683	-0.327

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.5747	5.1895	3.6018	3.6723	2.4368	2.4491	2.1607	1.7791	1.0899
H2	2.5747		5.1899	3.6024	2.4372	3.6730	1.7790	1.0900	2.4491	2.1613
S3	5.1895	5.1899		1.6633	2.9837	2.9835	4.5210	4.2603	4.5263	4.2612
C4	3.6018	3.6024	1.6633		1.7399	1.7394	3.0096	2.6406	3.0121	2.6407
S5	3.6723	2.4372	2.9837	1.7399		2.9346	2.4082	1.8251	2.9464	2.6855
S6	2.4368	3.6730	2.9835	1.7394	2.9346		2.9473	2.6860	2.4082	1.8247
H7	2.4491	1.7790	4.5210	3.0096	2.4082	2.9473		1.0908	3.0544	2.1526
C8	2.1607	1.0900	4.2603	2.6406	1.8251	2.6860	1.0908		2.1523	1.5165
H9	1.7791	2.4491	4.5263	3.0121	2.9464	2.4082	3.0544	2.1523		1.0910
C10	1.0899	2.1613	4.2612	2.6407	2.6855	1.8247	2.1526	1.5165	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	110.929	H1	C10	C8	110.931
H1	C10	H9	109.333	H2	C8	S5	110.922
H2	C8	H7	109.328	H2	C8	C10	110.975
S3	C4	S5	122.486	S3	C4	S6	122.500
C4	S5	C8	95.554	C4	S6	C10	95.594
S5	C4	S6	115.013	S5	C8	H7	108.736
S5	C8	C10	106.596	S6	C10	C8	106.647
S6	C10	H9	108.751	H7	C8	C10	110.234
C8	C10	H9	110.200

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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