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	hartrees
Energy at 0K	-1311.102105
Energy at 298.15K	-1311.107286
Nuclear repulsion energy	422.808182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3022	5.66
2	A	3146	3010	1.56
3	A	3093	2959	15.88
4	A	3091	2957	8.44
5	A	1503	1438	0.54
6	A	1489	1425	8.54
7	A	1339	1281	19.99
8	A	1303	1246	3.32
9	A	1196	1144	7.63
10	A	1146	1096	1.09
11	A	1122	1074	282.13
12	A	1013	969	2.63
13	A	983	940	8.16
14	A	893	854	17.94
15	A	844	807	70.21
16	A	701	670	0.60
17	A	691	661	3.31
18	A	501	480	7.78
19	A	487	466	1.91
20	A	457	437	0.74
21	A	392	375	1.27
22	A	250	239	0.09
23	A	228	218	1.66
24	A	109	105	1.31

Atom	x (Å)	y (Å)	z (Å)
H1	-2.684	1.318	-0.124
H2	-2.684	-1.318	0.124
S3	2.318	-0.000	0.000
C4	0.681	-0.000	-0.000
S5	-0.284	-1.472	0.086
S6	-0.284	1.472	-0.086
H7	-2.014	-0.660	-1.390
C8	-1.890	-0.697	-0.303
H9	-2.014	0.660	1.390
C10	-1.890	0.698	0.303

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6472	5.1739	3.6160	3.6856	2.4051	2.4414	2.1734	1.7817	1.0945
H2	2.6472		5.1739	3.6160	2.4051	3.6856	1.7817	1.0945	2.4414	2.1734
S3	5.1739	5.1739		1.6368	2.9904	2.9904	4.5965	4.2757	4.5964	4.2757
C4	3.6160	3.6160	1.6368		1.7619	1.7619	3.1028	2.6809	3.1028	2.6809
S5	3.6856	2.4051	2.9904	1.7619		2.9481	2.4140	1.8244	3.0387	2.7074
S6	2.4051	3.6856	2.9904	1.7619	2.9481		3.0387	2.7074	2.4140	1.8244
H7	2.4414	1.7817	4.5965	3.1028	2.4140	3.0387		1.0946	3.0765	2.1728
C8	2.1734	1.0945	4.2757	2.6809	1.8244	2.7074	1.0946		2.1728	1.5207
H9	1.7817	2.4414	4.5964	3.1028	3.0387	2.4140	3.0765	2.1728		1.0946
C10	1.0945	2.1734	4.2757	2.6809	2.7074	1.8244	2.1728	1.5207	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.368	H1	C10	C8	111.379
H1	C10	H9	108.962	H2	C8	S5	108.368
H2	C8	H7	108.962	H2	C8	C10	111.378
S3	C4	S5	123.214	S3	C4	S6	123.214
C4	S5	C8	96.741	C4	S6	C10	96.741
S5	C4	S6	113.572	S5	C8	H7	109.006
S5	C8	C10	107.725	S6	C10	C8	107.725
S6	C10	H9	109.006	H7	C8	C10	111.324
C8	C10	H9	111.324

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	H	0.227	0.132
2	H	0.227	0.132
3	S	-0.090	-0.206
4	C	-0.396	0.078
5	S	0.295	-0.068
6	S	0.295	-0.068
7	H	0.232	0.112
8	C	-0.511	-0.112
9	H	0.232	0.112
10	C	-0.511	-0.112

<r²>	276.578
(<r²>)^1/2	16.631

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

using model chemistry: B3PW91/6-31G*

States and conformations

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