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	hartrees
Energy at 0K	-1308.489280
Energy at 298.15K	-1308.494797
Nuclear repulsion energy	425.953134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	2973	8.69
2	A	3268	2959	2.31
3	A	3222	2917	26.49
4	A	3215	2911	9.17
5	A	1611	1459	0.07
6	A	1596	1445	5.03
7	A	1439	1303	22.72
8	A	1410	1276	1.94
9	A	1289	1167	12.68
10	A	1221	1106	0.33
11	A	1189	1077	423.77
12	A	1061	961	1.80
13	A	1050	951	22.12
14	A	975	883	30.15
15	A	910	824	44.16
16	A	753	682	0.67
17	A	741	671	6.90
18	A	538	488	8.21
19	A	530	480	1.22
20	A	500	453	0.13
21	A	412	373	5.19
22	A	271	246	0.07
23	A	235	213	2.23
24	A	115	105	1.33

Atom	x (Å)	y (Å)	z (Å)
H1	-2.655	-1.317	0.163
H2	-2.655	1.317	-0.163
S3	2.297	-0.000	0.000
C4	0.679	-0.000	-0.000
S5	-0.277	1.458	-0.083
S6	-0.277	-1.458	0.083
H7	-2.028	0.689	1.360
C8	-1.884	0.705	0.287
H9	-2.028	-0.689	-1.360
C10	-1.884	-0.705	-0.287

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6536	5.1271	3.5882	3.6632	2.3839	2.4181	2.1669	1.7625	1.0826
H2	2.6536		5.1271	3.5882	2.3839	3.6632	1.7625	1.0826	2.4181	2.1669
S3	5.1271	5.1271		1.6186	2.9597	2.9597	4.5863	4.2503	4.5864	4.2503
C4	3.5882	3.5882	1.6186		1.7455	1.7455	3.1067	2.6736	3.1066	2.6736
S5	3.6632	2.3839	2.9597	1.7455		2.9216	2.3962	1.8137	3.0510	2.7026
S6	2.3839	3.6632	2.9597	1.7455	2.9216		3.0510	2.7026	2.3962	1.8137
H7	2.4181	1.7625	4.5863	3.1067	2.3962	3.0510		1.0821	3.0485	2.1622
C8	2.1669	1.0826	4.2503	2.6736	1.8137	2.7026	1.0821		2.1622	1.5218
H9	1.7625	2.4181	4.5864	3.1066	3.0510	2.3962	3.0485	2.1622		1.0821
C10	1.0826	2.1669	4.2503	2.6736	2.7026	1.8137	2.1622	1.5218	1.0821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.122	H1	C10	C8	111.494
H1	C10	H9	109.020	H2	C8	S5	108.122
H2	C8	H7	109.020	H2	C8	C10	111.494
S3	C4	S5	123.189	S3	C4	S6	123.189
C4	S5	C8	97.364	C4	S6	C10	97.364
S5	C4	S6	113.622	S5	C8	H7	109.050
S5	C8	C10	107.922	S6	C10	C8	107.921
S6	C10	H9	109.051	H7	C8	C10	111.152
C8	C10	H9	111.152

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

using model chemistry: HF/6-31G(2df,p)

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	0.180
2	H	0.180
3	S	-0.291
4	C	0.072
5	S	0.057
6	S	0.057
7	H	0.182
8	C	-0.311
9	H	0.182
10	C	-0.311

	x	y	z
x	17.421	0.000	0.000
y	0.000	11.483	-0.157
z	0.000	-0.157	7.791

<r²>	273.862
(<r²>)^1/2	16.549

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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