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	hartrees
Energy at 0K	-1296.498046
Energy at 298.15K	-1296.502782
Nuclear repulsion energy	412.148611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3323	3074	6.33
2	A	3315	3067	0.00
3	A	3209	2969	6.73
4	A	3207	2967	4.52
5	A	1618	1497	1.59
6	A	1608	1488	0.19
7	A	1384	1280	15.52
8	A	1360	1258	1.71
9	A	1242	1149	132.64
10	A	1223	1132	48.64
11	A	1182	1093	0.03
12	A	1033	956	0.91
13	A	1003	928	1.31
14	A	896	829	11.78
15	A	855	791	63.13
16	A	762	705	4.63
17	A	739	683	1.36
18	A	494	457	7.71
19	A	482	446	2.75
20	A	443	410	0.24
21	A	394	364	0.06
22	A	259	240	0.08
23	A	179	166	0.31
24	A	94	87	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.729	-1.332	-0.228
H2	2.729	1.332	0.229
S3	-2.359	0.000	0.000
C4	-0.722	0.000	-0.000
S5	0.287	1.527	0.078
S6	0.287	-1.527	-0.078
H7	2.134	0.745	-1.364
C8	1.931	0.739	-0.269
H9	2.133	-0.745	1.365
C10	1.931	-0.739	0.270

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.7026	5.2640	3.7060	3.7717	2.4540	2.4404	2.2192	1.7993	1.1120
H2	2.7026		5.2639	3.7060	2.4540	3.7717	1.7993	1.1120	2.4404	2.2192
S3	5.2640	5.2639		1.6367	3.0558	3.0558	4.7541	4.3613	4.7535	4.3611
C4	3.7060	3.7060	1.6367		1.8317	1.8317	3.2516	2.7671	3.2512	2.7671
S5	3.7717	2.4540	3.0558	1.8317		3.0572	2.4701	1.8556	3.1974	2.8054
S6	2.4540	3.7717	3.0558	1.8317	3.0572		3.1974	2.8054	2.4701	1.8556
H7	2.4404	1.7993	4.7541	3.2516	2.4701	3.1974		1.1137	3.1090	2.2161
C8	2.2192	1.1120	4.3613	2.7671	1.8556	2.8054	1.1137		2.2161	1.5726
H9	1.7993	2.4404	4.7535	3.2512	3.1974	2.4701	3.1090	2.2161		1.1137
C10	1.1120	2.2192	4.3611	2.7671	2.8054	1.8556	2.2161	1.5726	1.1137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.981	H1	C10	C8	110.339
H1	C10	H9	107.883	H2	C8	S5	108.980
H2	C8	H7	107.882	H2	C8	C10	110.338
S3	C4	S5	123.435	S3	C4	S6	123.436
C4	S5	C8	97.255	C4	S6	C10	97.251
S5	C4	S6	113.129	S5	C8	H7	110.061
S5	C8	C10	109.558	S6	C10	C8	109.557
S6	C10	H9	110.060	H7	C8	C10	109.996
C8	C10	H9	109.995

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

using model chemistry: BLYP/STO-3G

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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Number	Element	Mulliken
1	H	0.083
2	H	0.083
3	S	0.032
4	C	-0.313
5	S	0.193
6	S	0.193
7	H	0.078
8	C	-0.214
9	H	0.078
10	C	-0.214

	x	y	z
x	11.130	0.000	0.000
y	0.000	6.023	0.172
z	0.000	0.172	2.618

<r²>	285.555
(<r²>)^1/2	16.898

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

using model chemistry: BLYP/STO-3G

States and conformations

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