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	hartrees
Energy at 0K	-1311.332461
Energy at 298.15K	-1311.337680
Nuclear repulsion energy	424.996713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3018	4.64
2	A	3168	3007	1.53
3	A	3112	2954	13.16
4	A	3111	2953	7.75
5	A	1506	1430	0.55
6	A	1492	1416	8.67
7	A	1343	1275	19.75
8	A	1305	1239	3.24
9	A	1202	1141	18.06
10	A	1149	1091	1.13
11	A	1145	1087	280.75
12	A	1019	968	3.58
13	A	985	935	6.72
14	A	903	857	28.22
15	A	855	812	59.08
16	A	707	671	0.54
17	A	703	668	3.47
18	A	510	484	7.80
19	A	491	466	1.99
20	A	456	433	0.52
21	A	393	373	1.40
22	A	250	237	0.07
23	A	235	223	1.71
24	A	108	103	1.25

Atom	x (Å)	y (Å)	z (Å)
H1	2.674	1.313	0.097
H2	2.674	-1.313	-0.096
S3	-2.306	0.000	0.000
C4	-0.675	0.000	-0.000
S5	0.285	-1.465	-0.088
S6	0.285	1.465	0.087
H7	1.986	-0.636	1.396
C8	1.876	-0.691	0.311
H9	1.987	0.636	-1.396
C10	1.876	0.691	-0.311

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6334	5.1512	3.5990	3.6688	2.3945	2.4415	2.1678	1.7780	1.0917
H2	2.6334		5.1512	3.5990	2.3945	3.6688	1.7780	1.0917	2.4415	2.1678
S3	5.1512	5.1512		1.6305	2.9770	2.9770	4.5579	4.2495	4.5581	4.2495
C4	3.5990	3.5990	1.6305		1.7532	1.7532	3.0720	2.6610	3.0721	2.6610
S5	3.6688	2.3945	2.9770	1.7532		2.9343	2.4052	1.8137	3.0032	2.6882
S6	2.3945	3.6688	2.9770	1.7532	2.9343		3.0033	2.6883	2.4052	1.8137
H7	2.4415	1.7780	4.5579	3.0720	2.4052	3.0033		1.0920	3.0685	2.1652
C8	2.1678	1.0917	4.2495	2.6610	1.8137	2.6883	1.0920		2.1652	1.5153
H9	1.7780	2.4415	4.5581	3.0721	3.0032	2.4052	3.0685	2.1652		1.0920
C10	1.0917	2.1678	4.2495	2.6610	2.6882	1.8137	2.1652	1.5153	1.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.440	H1	C10	C8	111.482
H1	C10	H9	109.020	H2	C8	S5	108.441
H2	C8	H7	109.020	H2	C8	C10	111.482
S3	C4	S5	123.192	S3	C4	S6	123.193
C4	S5	C8	96.479	C4	S6	C10	96.480
S5	C4	S6	113.615	S5	C8	H7	109.207
S5	C8	C10	107.369	S6	C10	C8	107.370
S6	C10	H9	109.207	H7	C8	C10	111.248
C8	C10	H9	111.248

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

using model chemistry: B1B95/6-31G*

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	0.223
2	H	0.223
3	S	-0.088
4	C	-0.400
5	S	0.298
6	S	0.298
7	H	0.229
8	C	-0.506
9	H	0.229
10	C	-0.506

	x	y	z
x	17.476	0.000	-0.000
y	0.000	11.578	0.214
z	-0.000	0.214	6.959

<r²>	273.862
(<r²>)^1/2	16.549

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

using model chemistry: B1B95/6-31G*

States and conformations

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