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	hartrees
Energy at 0K	-1311.342952
Energy at 298.15K	-1311.348165
Nuclear repulsion energy	424.610351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3023	4.40
2	A	3149	3012	1.53
3	A	3090	2956	14.67
4	A	3090	2956	9.14
5	A	1478	1414	1.15
6	A	1463	1400	10.33
7	A	1323	1265	17.74
8	A	1286	1231	3.16
9	A	1186	1135	20.72
10	A	1132	1083	286.03
11	A	1132	1083	0.53
12	A	1009	966	4.09
13	A	973	931	7.58
14	A	893	854	27.45
15	A	846	810	55.25
16	A	699	668	0.51
17	A	697	667	3.25
18	A	507	485	8.64
19	A	488	467	3.08
20	A	453	434	0.81
21	A	390	373	1.32
22	A	249	238	0.25
23	A	236	226	1.64
24	A	107	103	1.37

Atom	x (Å)	y (Å)	z (Å)
H1	2.676	1.315	0.092
H2	2.676	-1.315	-0.092
S3	-2.309	-0.000	0.000
C4	-0.675	-0.000	0.000
S5	0.286	-1.465	-0.088
S6	0.286	1.465	0.088
H7	1.984	-0.633	1.399
C8	1.877	-0.690	0.313
H9	1.984	0.633	-1.399
C10	1.878	0.690	-0.313

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6366	5.1563	3.6015	3.6712	2.3951	2.4459	2.1696	1.7797	1.0921
H2	2.6366		5.1563	3.6015	2.3951	3.6712	1.7797	1.0921	2.4459	2.1696
S3	5.1563	5.1563		1.6334	2.9811	2.9811	4.5594	4.2543	4.5594	4.2543
C4	3.6015	3.6015	1.6334		1.7547	1.7548	3.0711	2.6630	3.0713	2.6631
S5	3.6712	2.3951	2.9811	1.7547		2.9362	2.4059	1.8154	3.0015	2.6891
S6	2.3951	3.6712	2.9811	1.7548	2.9362		3.0015	2.6891	2.4059	1.8154
H7	2.4459	1.7797	4.5594	3.0711	2.4059	3.0015		1.0926	3.0714	2.1667
C8	2.1696	1.0921	4.2543	2.6630	1.8154	2.6891	1.0926		2.1667	1.5157
H9	1.7797	2.4459	4.5594	3.0713	3.0015	2.4059	3.0714	2.1667		1.0926
C10	1.0921	2.1696	4.2543	2.6631	2.6891	1.8154	2.1667	1.5157	1.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	108.348	H1	C10	C8	111.573
H1	C10	H9	109.103	H2	C8	S5	108.348
H2	C8	H7	109.103	H2	C8	C10	111.574
S3	C4	S5	123.212	S3	C4	S6	123.212
C4	S5	C8	96.459	C4	S6	C10	96.461
S5	C4	S6	113.577	S5	C8	H7	109.108
S5	C8	C10	107.316	S6	C10	C8	107.317
S6	C10	H9	109.108	H7	C8	C10	111.306
C8	C10	H9	111.306

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

using model chemistry: B1B95/6-31+G**

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	0.211
2	H	0.211
3	S	-0.103
4	C	-0.377
5	S	0.275
6	S	0.275
7	H	0.225
8	C	-0.471
9	H	0.225
10	C	-0.471

	x	y	z
x	19.008	0.000	0.000
y	0.000	13.226	0.156
z	0.000	0.156	8.755

<r²>	274.707
(<r²>)^1/2	16.574

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

using model chemistry: B1B95/6-31+G**

States and conformations

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