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	hartrees
Energy at 0K	-1311.165344
Energy at 298.15K	-1311.170502
Nuclear repulsion energy	422.055619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3033	4.54
2	A	3130	3021	0.76
3	A	3072	2965	16.32
4	A	3069	2962	8.82
5	A	1447	1397	1.19
6	A	1432	1382	7.69
7	A	1299	1253	16.78
8	A	1256	1212	1.64
9	A	1172	1131	26.98
10	A	1127	1088	244.51
11	A	1112	1073	0.84
12	A	1006	971	3.05
13	A	947	914	5.16
14	A	879	848	35.87
15	A	830	801	48.76
16	A	690	666	1.05
17	A	682	659	3.06
18	A	499	482	8.04
19	A	476	460	1.35
20	A	451	435	1.07
21	A	387	374	1.39
22	A	245	236	0.06
23	A	226	218	1.43
24	A	109	105	1.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.688	1.326	0.127
H2	2.688	-1.326	-0.127
S3	-2.322	-0.000	-0.000
C4	-0.682	0.000	0.000
S5	0.285	-1.474	-0.086
S6	0.285	1.474	0.086
H7	2.012	-0.664	1.396
C8	1.893	-0.697	0.302
H9	2.012	0.664	-1.396
C10	1.893	0.697	-0.302

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6648	5.1843	3.6236	3.6957	2.4074	2.4554	2.1804	1.7932	1.1007
H2	2.6648		5.1843	3.6236	2.4074	3.6957	1.7931	1.1007	2.4554	2.1804
S3	5.1843	5.1843		1.6404	2.9966	2.9966	4.6015	4.2837	4.6015	4.2837
C4	3.6236	3.6236	1.6404		1.7649	1.7649	3.1056	2.6850	3.1057	2.6850
S5	3.6957	2.4074	2.9966	1.7649		2.9526	2.4149	1.8277	3.0442	2.7100
S6	2.4074	3.6957	2.9966	1.7649	2.9526		3.0443	2.7100	2.4148	1.8277
H7	2.4554	1.7931	4.6015	3.1056	2.4149	3.0443		1.1008	3.0918	2.1791
C8	2.1804	1.1007	4.2837	2.6850	1.8277	2.7100	1.1008		2.1792	1.5186
H9	1.7932	2.4554	4.6015	3.1057	3.0442	2.4148	3.0918	2.1792		1.1008
C10	1.1007	2.1804	4.2837	2.6850	2.7100	1.8277	2.1791	1.5186	1.1008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.004	H1	C10	C8	111.703
H1	C10	H9	109.080	H2	C8	S5	108.003
H2	C8	H7	109.079	H2	C8	C10	111.704
S3	C4	S5	123.231	S3	C4	S6	123.233
C4	S5	C8	96.710	C4	S6	C10	96.711
S5	C4	S6	113.536	S5	C8	H7	108.536
S5	C8	C10	107.801	S6	C10	C8	107.804
S6	C10	H9	108.533	H7	C8	C10	111.597
C8	C10	H9	111.596

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

using model chemistry: B3PW91/cc-pVDZ

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	0.091
2	H	0.091
3	S	-0.115
4	C	-0.261
5	S	0.148
6	S	0.148
7	H	0.102
8	C	-0.153
9	H	0.102
10	C	-0.153

<r²>	277.261
(<r²>)^1/2	16.651

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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