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	hartrees
Energy at 0K	-1292.827184
Energy at 298.15K	-1292.832143
Nuclear repulsion energy	420.200235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3421	3063	0.75
2	A	3413	3057	1.70
3	A	3305	2960	1.42
4	A	3303	2958	0.00
5	A	1614	1445	0.19
6	A	1605	1437	3.12
7	A	1401	1254	8.67
8	A	1371	1228	5.42
9	A	1313	1176	179.73
10	A	1246	1116	6.92
11	A	1199	1073	0.10
12	A	1089	976	3.39
13	A	1026	919	0.53
14	A	942	843	51.28
15	A	907	812	31.21
16	A	799	715	4.56
17	A	789	707	1.31
18	A	533	478	6.44
19	A	495	443	2.03
20	A	469	420	0.19
21	A	412	369	0.05
22	A	269	241	0.10
23	A	196	175	0.53
24	A	103	92	0.24

Atom	x (Å)	y (Å)	z (Å)
H1	-2.693	-1.314	0.185
H2	-2.693	1.314	-0.185
S3	2.319	-0.000	0.000
C4	0.703	-0.000	-0.000
S5	-0.285	1.493	-0.080
S6	-0.285	-1.493	0.080
H7	-2.067	0.697	1.372
C8	-1.890	0.716	0.280
H9	-2.067	-0.697	-1.371
C10	-1.890	-0.716	-0.280

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6540	5.1844	3.6459	3.7075	2.4163	2.4171	2.1850	1.7876	1.1038
H2	2.6540		5.1844	3.6458	2.4163	3.7075	1.7876	1.1038	2.4171	2.1850
S3	5.1844	5.1844		1.6160	3.0030	3.0030	4.6479	4.2787	4.6480	4.2788
C4	3.6459	3.6458	1.6160		1.7923	1.7923	3.1686	2.7048	3.1685	2.7047
S5	3.7075	2.4163	3.0030	1.7923		2.9903	2.4323	1.8191	3.1043	2.7377
S6	2.4163	3.7075	3.0030	1.7923	2.9903		3.1043	2.7377	2.4323	1.8191
H7	2.4171	1.7876	4.6479	3.1686	2.4323	3.1043		1.1056	3.0767	2.1807
C8	2.1850	1.1038	4.2787	2.7048	1.8191	2.7377	1.1056		2.1807	1.5377
H9	1.7876	2.4171	4.6480	3.1685	3.1043	2.4323	3.0767	2.1807		1.1056
C10	1.1038	2.1850	4.2788	2.7047	2.7377	1.8191	2.1807	1.5377	1.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	109.055	H1	C10	C8	110.539
H1	C10	H9	108.008	H2	C8	S5	109.055
H2	C8	H7	108.008	H2	C8	C10	110.539
S3	C4	S5	123.467	S3	C4	S6	123.467
C4	S5	C8	96.996	C4	S6	C10	96.995
S5	C4	S6	113.066	S5	C8	H7	110.131
S5	C8	C10	108.998	S6	C10	C8	108.997
S6	C10	H9	110.131	H7	C8	C10	110.098
C8	C10	H9	110.098

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

using model chemistry: LSDA/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	0.111
2	H	0.111
3	S	0.021
4	C	-0.320
5	S	0.191
6	S	0.191
7	H	0.105
8	C	-0.257
9	H	0.105
10	C	-0.257

	x	y	z
x	10.513	0.000	0.000
y	0.000	5.669	-0.180
z	0.000	-0.180	2.525

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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