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	hartrees
Energy at 0K	-1308.547510
Energy at 298.15K	-1308.553067
Nuclear repulsion energy	425.192928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	2983	13.85
2	A	3268	2969	2.99
3	A	3222	2927	28.31
4	A	3216	2922	11.72
5	A	1614	1466	0.05
6	A	1596	1450	6.04
7	A	1449	1316	24.00
8	A	1417	1288	4.18
9	A	1295	1177	12.67
10	A	1231	1119	1.63
11	A	1186	1078	458.45
12	A	1063	966	1.41
13	A	1060	963	28.35
14	A	975	885	21.01
15	A	915	831	53.08
16	A	751	683	0.42
17	A	739	671	8.88
18	A	536	487	9.95
19	A	534	485	1.83
20	A	498	453	0.53
21	A	417	379	5.59
22	A	280	255	0.08
23	A	247	224	2.43
24	A	111	101	1.51

Atom	x (Å)	y (Å)	z (Å)
H1	2.659	1.316	0.135
H2	2.659	-1.316	-0.135
S3	-2.300	-0.000	0.000
C4	-0.679	0.000	0.000
S5	0.279	-1.465	-0.085
S6	0.279	1.465	0.085
H7	2.010	-0.667	1.372
C8	1.883	-0.699	0.298
H9	2.010	0.667	-1.372
C10	1.883	0.699	-0.298

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6461	5.1328	3.5908	3.6669	2.3853	2.4256	2.1657	1.7645	1.0822
H2	2.6461		5.1328	3.5908	2.3853	3.6670	1.7645	1.0822	2.4256	2.1657
S3	5.1328	5.1328		1.6211	2.9673	2.9673	4.5717	4.2514	4.5717	4.2514
C4	3.5908	3.5908	1.6211		1.7523	1.7522	3.0912	2.6721	3.0912	2.6721
S5	3.6669	2.3853	2.9673	1.7523		2.9343	2.3984	1.8179	3.0324	2.7017
S6	2.3853	3.6670	2.9673	1.7522	2.9343		3.0325	2.7018	2.3984	1.8179
H7	2.4256	1.7645	4.5717	3.0912	2.3984	3.0325		1.0816	3.0504	2.1609
C8	2.1657	1.0822	4.2514	2.6721	1.8179	2.7018	1.0816		2.1609	1.5197
H9	1.7645	2.4256	4.5717	3.0912	3.0324	2.3984	3.0504	2.1609		1.0816
C10	1.0822	2.1657	4.2514	2.6721	2.7017	1.8179	2.1609	1.5197	1.0816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	107.969	H1	C10	C8	111.571
H1	C10	H9	109.264	H2	C8	S5	107.968
H2	C8	H7	109.264	H2	C8	C10	111.572
S3	C4	S5	123.143	S3	C4	S6	123.145
C4	S5	C8	96.897	C4	S6	C10	96.896
S5	C4	S6	113.712	S5	C8	H7	108.961
S5	C8	C10	107.753	S6	C10	C8	107.755
S6	C10	H9	108.959	H7	C8	C10	111.225
C8	C10	H9	111.224

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

using model chemistry: HF/6-311G**

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	0.155
2	H	0.155
3	S	-0.094
4	C	-0.388
5	S	0.254
6	S	0.254
7	H	0.165
8	C	-0.333
9	H	0.165
10	C	-0.333

	x	y	z
x	17.938	0.000	0.000
y	0.000	11.458	0.274
z	0.000	0.274	6.655

<r²>	275.182
(<r²>)^1/2	16.589

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

using model chemistry: HF/6-311G**

States and conformations

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