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	hartrees
Energy at 0K	-1304.230104
Energy at 298.15K	-1304.235186
HF Energy	-1304.230104
Nuclear repulsion energy	413.835658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3088	0.51
2	A	3190	3073	0.00
3	A	3129	3014	3.63
4	A	3126	3011	2.49
5	A	1514	1458	3.49
6	A	1507	1452	21.68
7	A	1350	1301	13.70
8	A	1311	1263	4.54
9	A	1200	1156	0.09
10	A	1168	1125	0.67
11	A	1086	1046	268.22
12	A	1026	989	10.12
13	A	961	926	6.15
14	A	873	840	6.44
15	A	788	759	83.31
16	A	655	631	0.40
17	A	640	616	7.42
18	A	475	457	2.54
19	A	465	448	9.42
20	A	448	432	1.68
21	A	379	366	0.33
22	A	254	245	0.24
23	A	231	223	2.03
24	A	101	97	1.76

Atom	x (Å)	y (Å)	z (Å)
H1	-2.760	-1.289	0.020
H2	-2.760	1.290	-0.011
S3	2.358	0.000	0.002
C4	0.663	-0.000	-0.001
S5	-0.288	1.486	-0.094
S6	-0.288	-1.487	0.089
H7	-1.972	0.580	1.424
C8	-1.918	0.686	0.337
H9	-1.979	-0.578	-1.418
C10	-1.920	-0.686	-0.331

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.5791	5.2776	3.6575	3.7184	2.4808	2.4664	2.1704	1.7844	1.0922
H2	2.5791		5.2778	3.6580	2.4811	3.7188	1.7837	1.0923	2.4661	2.1708
S3	5.2776	5.2778		1.6948	3.0363	3.0361	4.5945	4.3437	4.6003	4.3450
C4	3.6575	3.6580	1.6948		1.7674	1.7668	3.0514	2.6922	3.0539	2.6926
S5	3.7184	2.4811	3.0363	1.7674		2.9788	2.4419	1.8663	2.9797	2.7273
S6	2.4808	3.7188	3.0361	1.7668	2.9788		2.9816	2.7279	2.4410	1.8657
H7	2.4664	1.7837	4.5945	3.0514	2.4419	2.9816		1.0938	3.0692	2.1644
C8	2.1704	1.0923	4.3437	2.6922	1.8663	2.7279	1.0938		2.1641	1.5261
H9	1.7844	2.4661	4.6003	3.0539	2.9797	2.4410	3.0692	2.1641		1.0943
C10	1.0922	2.1708	4.3450	2.6926	2.7273	1.8657	2.1644	1.5261	1.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	111.308	H1	C10	C8	110.892
H1	C10	H9	109.389	H2	C8	S5	111.277
H2	C8	H7	109.361	H2	C8	C10	110.919
S3	C4	S5	122.550	S3	C4	S6	122.566
C4	S5	C8	95.579	C4	S6	C10	95.638
S5	C4	S6	114.884	S5	C8	H7	108.318
S5	C8	C10	106.586	S6	C10	C8	106.654
S6	C10	H9	108.273	H7	C8	C10	110.322
C8	C10	H9	110.265

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

using model chemistry: HSEh1PBE/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	0.290
2	H	0.290
3	S	0.191
4	C	-0.978
5	S	0.518
6	S	0.518
7	H	0.292
8	C	-0.706
9	H	0.292
10	C	-0.706

	x	y	z
x	17.536	0.000	0.000
y	0.000	11.075	-0.314
z	0.000	-0.314	5.820

<r²>	287.639
(<r²>)^1/2	16.960

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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