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	hartrees
Energy at 0K	-1311.296940
Energy at 298.15K	-1311.302071
Nuclear repulsion energy	420.640367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3022	7.02
2	A	3132	3009	1.43
3	A	3080	2959	16.31
4	A	3079	2958	8.07
5	A	1495	1436	0.12
6	A	1481	1423	6.45
7	A	1327	1275	21.62
8	A	1292	1241	2.26
9	A	1184	1138	5.90
10	A	1134	1090	0.79
11	A	1099	1055	278.40
12	A	997	958	1.48
13	A	973	935	10.52
14	A	879	844	9.07
15	A	821	789	75.85
16	A	682	655	0.55
17	A	668	642	3.97
18	A	488	469	8.73
19	A	482	463	1.73
20	A	455	437	0.65
21	A	388	373	1.34
22	A	249	239	0.10
23	A	224	216	1.59
24	A	108	104	1.21

Atom	x (Å)	y (Å)	z (Å)
H1	2.690	1.323	0.138
H2	2.690	-1.323	-0.138
S3	-2.328	-0.000	0.000
C4	-0.687	0.000	-0.000
S5	0.284	-1.480	-0.085
S6	0.284	1.480	0.085
H7	2.031	-0.673	1.384
C8	1.904	-0.701	0.299
H9	2.032	0.673	-1.384
C10	1.904	0.701	-0.299

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6601	5.1916	3.6296	3.7006	2.4117	2.4435	2.1775	1.7812	1.0932
H2	2.6601		5.1916	3.6296	2.4117	3.7007	1.7812	1.0932	2.4435	2.1775
S3	5.1916	5.1916		1.6413	3.0037	3.0037	4.6235	4.3003	4.6236	4.3004
C4	3.6296	3.6296	1.6413		1.7722	1.7722	3.1241	2.7008	3.1240	2.7008
S5	3.7006	2.4117	3.0037	1.7722		2.9650	2.4214	1.8379	3.0624	2.7255
S6	2.4117	3.7007	3.0037	1.7722	2.9650		3.0624	2.7255	2.4214	1.8379
H7	2.4435	1.7812	4.6235	3.1241	2.4214	3.0624		1.0930	3.0783	2.1768
C8	2.1775	1.0932	4.3003	2.7008	1.8379	2.7255	1.0930		2.1768	1.5248
H9	1.7812	2.4435	4.6236	3.1240	3.0624	2.4214	3.0783	2.1768		1.0931
C10	1.0932	2.1775	4.3004	2.7008	2.7255	1.8379	2.1768	1.5248	1.0931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.024	H1	C10	C8	111.488
H1	C10	H9	109.116	H2	C8	S5	108.024
H2	C8	H7	109.115	H2	C8	C10	111.488
S3	C4	S5	123.226	S3	C4	S6	123.227
C4	S5	C8	96.841	C4	S6	C10	96.839
S5	C4	S6	113.547	S5	C8	H7	108.736
S5	C8	C10	107.931	S6	C10	C8	107.931
S6	C10	H9	108.734	H7	C8	C10	111.443
C8	C10	H9	111.445

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

using model chemistry: B3LYP/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
1	H	0.159
2	H	0.159
3	S	-0.105
4	C	-0.346
5	S	0.263
6	S	0.263
7	H	0.167
8	C	-0.363
9	H	0.167
10	C	-0.363

	x	y	z
x	17.811	0.000	0.000
y	0.000	11.768	0.218
z	0.000	0.218	6.998

<r²>	279.326
(<r²>)^1/2	16.713

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

using model chemistry: B3LYP/6-31G**

States and conformations

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