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	hartrees
Energy at 0K	-1305.101406
Energy at 298.15K	-1305.106532
Nuclear repulsion energy	420.443767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3031	3.68
2	A	3135	3016	0.43
3	A	3087	2970	10.89
4	A	3086	2969	5.25
5	A	1528	1470	1.46
6	A	1523	1465	12.97
7	A	1354	1302	16.15
8	A	1326	1275	5.22
9	A	1198	1153	1.02
10	A	1176	1131	0.93
11	A	1090	1049	254.40
12	A	981	943	8.76
13	A	971	934	4.96
14	A	883	849	5.01
15	A	801	771	78.71
16	A	672	647	1.20
17	A	656	631	3.07
18	A	488	469	2.40
19	A	484	465	9.71
20	A	462	445	1.64
21	A	392	377	0.96
22	A	253	243	0.12
23	A	219	210	1.76
24	A	105	101	1.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.694	1.322	0.138
H2	2.694	-1.322	-0.138
S3	-2.323	0.000	0.000
C4	-0.683	0.000	0.000
S5	0.280	-1.483	-0.086
S6	0.280	1.483	0.086
H7	2.029	-0.668	1.388
C8	1.904	-0.708	0.303
H9	2.029	0.668	-1.388
C10	1.904	0.708	-0.303

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6592	5.1899	3.6292	3.7076	2.4196	2.4428	2.1848	1.7879	1.0933
H2	2.6592		5.1899	3.6292	2.4196	3.7076	1.7878	1.0934	2.4428	2.1848
S3	5.1899	5.1899		1.6398	2.9971	2.9971	4.6167	4.2964	4.6167	4.2964
C4	3.6292	3.6292	1.6398		1.7705	1.7705	3.1191	2.6992	3.1192	2.6992
S5	3.7076	2.4196	2.9971	1.7705		2.9711	2.4278	1.8408	3.0633	2.7358
S6	2.4196	3.7076	2.9971	1.7705	2.9711		3.0633	2.7358	2.4278	1.8408
H7	2.4428	1.7878	4.6167	3.1191	2.4278	3.0633		1.0929	3.0806	2.1835
C8	2.1848	1.0934	4.2964	2.6992	1.8408	2.7358	1.0929		2.1835	1.5399
H9	1.7879	2.4428	4.6167	3.1192	3.0633	2.4278	3.0806	2.1835		1.0929
C10	1.0933	2.1848	4.2964	2.6992	2.7358	1.8408	2.1835	1.5399	1.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.394	H1	C10	C8	111.001
H1	C10	H9	109.723	H2	C8	S5	108.394
H2	C8	H7	109.722	H2	C8	C10	111.000
S3	C4	S5	122.957	S3	C4	S6	122.958
C4	S5	C8	96.715	C4	S6	C10	96.716
S5	C4	S6	114.085	S5	C8	H7	109.018
S5	C8	C10	107.711	S6	C10	C8	107.711
S6	C10	H9	109.017	H7	C8	C10	110.919
C8	C10	H9	110.919

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	H	0.247
2	H	0.247
3	S	-0.023
4	C	-0.533
5	S	0.358
6	S	0.359
7	H	0.251
8	C	-0.579
9	H	0.251
10	C	-0.579

	x	y	z
x	17.171	0.003	0.001
y	0.003	11.136	0.243
z	0.001	0.243	6.303

<r²>	279.485
(<r²>)^1/2	16.718

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

using model chemistry: B3LYP/3-21G*

States and conformations

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