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	hartrees
Energy at 0K	-1310.482874
Energy at 298.15K	-1310.490922
HF Energy	-1309.623882
Nuclear repulsion energy	451.942684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3019	3.01
2	A₁	3136	2940	38.53
3	A₁	1501	1407	11.18
4	A₁	961	901	15.69
5	A₁	687	644	4.14
6	A₁	418	392	0.11
7	A₁	304	285	1.79
8	A₂	1278	1198	0.00
9	A₂	1176	1103	0.00
10	A₂	817	766	0.00
11	E	3220	3019	0.47
11	E	3220	3019	0.47
12	E	3140	2944	4.03
12	E	3140	2944	4.03
13	E	1484	1391	3.72
13	E	1484	1391	3.72
14	E	1332	1249	20.59
14	E	1332	1249	20.59
15	E	1261	1183	18.09
15	E	1261	1183	18.09
16	E	834	782	0.77
16	E	834	782	0.77
17	E	789	739	17.39
17	E	789	739	17.39
18	E	698	654	0.54
18	E	698	654	0.54
19	E	294	275	0.86
19	E	294	275	0.86
20	E	188	176	0.00
20	E	188	176	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.582	0.404
C2	1.370	-0.791	0.404
C3	-1.370	-0.791	0.404
S4	1.544	0.891	-0.254
S5	0.000	-1.782	-0.254
S6	-1.544	0.891	-0.254
H7	0.000	1.506	1.492
H8	1.304	-0.753	1.492
H9	-1.304	-0.753	1.492
H10	0.000	2.639	0.147
H11	2.285	-1.319	0.147
H12	-2.285	-1.319	0.147

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7398	2.7398	1.8146	3.4279	1.8146	1.0907	2.8870	2.8870	1.0879	3.7022	3.7022
C2	2.7398		2.7398	1.8146	1.8146	3.4279	2.8870	1.0907	2.8870	3.7022	1.0879	3.7022
C3	2.7398	2.7398		3.4279	1.8146	1.8146	2.8870	2.8870	1.0907	3.7022	3.7022	1.0879
S4	1.8146	1.8146	3.4279		3.0870	3.0870	2.4104	2.4104	3.7230	2.3661	2.3661	4.4395
S5	3.4279	1.8146	1.8146	3.0870		3.0870	3.7230	2.4104	2.4104	4.4395	2.3661	2.3661
S6	1.8146	3.4279	1.8146	3.0870	3.0870		2.4104	3.7230	2.4104	2.3661	4.4395	2.3661
H7	1.0907	2.8870	2.8870	2.4104	3.7230	2.4104		2.6079	2.6079	1.7587	3.8747	3.8747
H8	2.8870	1.0907	2.8870	2.4104	2.4104	3.7230	2.6079		2.6079	3.8747	1.7587	3.8747
H9	2.8870	2.8870	1.0907	3.7230	2.4104	2.4104	2.6079	2.6079		3.8747	3.8747	1.7587
H10	1.0879	3.7022	3.7022	2.3661	4.4395	2.3661	1.7587	3.8747	3.8747		4.5708	4.5708
H11	3.7022	1.0879	3.7022	2.3661	2.3661	4.4395	3.8747	1.7587	3.8747	4.5708		4.5708
H12	3.7022	3.7022	1.0879	4.4395	2.3661	2.3661	3.8747	3.8747	1.7587	4.5708	4.5708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.035	C1	S6	C3	98.035
C2	S5	C3	98.035	S4	C1	S6	116.552
S4	C1	H7	109.595	S4	C1	H10	106.511
S4	C2	S5	116.552	S4	C2	H8	109.595
S4	C2	H11	106.511	S5	C2	H8	109.595
S5	C2	H11	106.511	S5	C3	S6	116.552
S5	C3	H9	109.595	S5	C3	H12	106.511
S6	C1	H7	109.595	S6	C1	H10	106.511
S6	C3	H9	109.595	S6	C3	H12	106.511
H7	C1	H10	107.656	H8	C2	H11	107.656
H9	C3	H12	107.656

All results from a given calculation for C₃H₆S₃ (1,3,5-Trithiane)

using model chemistry: CCD/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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All results from a given calculation for C3H6S3 (1,3,5-Trithiane)

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

States and conformations

All results from a given calculation for C₃H₆S₃ (1,3,5-Trithiane)