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	hartrees
Energy at 0K	-1310.663894
Energy at 298.15K	-1310.671728
HF Energy	-1309.714761
Nuclear repulsion energy	449.240162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3156	3038
2	A₁	3064	2949
3	A₁	1434	1380
4	A₁	927	892
5	A₁	659	634
6	A₁	400	385
7	A₁	304	292
8	A₂	1231	1185
9	A₂	1131	1089
10	A₂	760	731
11	E	3158	3039
11	E	3157	3039
12	E	3069	2954
12	E	3069	2954
13	E	1418	1364
13	E	1417	1364
14	E	1298	1249
14	E	1297	1249
15	E	1216	1170
15	E	1215	1170
16	E	790	760
16	E	790	760
17	E	742	714
17	E	742	714
18	E	664	639
18	E	664	639
19	E	270	260
19	E	270	260
20	E	186	179
20	E	184	177

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.582	0.416
C2	1.370	-0.791	0.416
C3	-1.370	-0.791	0.416
S4	1.555	0.898	-0.261
S5	0.000	-1.796	-0.261
S6	-1.555	0.898	-0.261
H7	0.000	1.471	1.503
H8	1.274	-0.736	1.503
H9	-1.274	-0.736	1.503
H10	0.000	2.645	0.176
H11	2.291	-1.323	0.176
H12	-2.291	-1.323	0.176

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7409	2.7409	1.8288	3.4451	1.8288	1.0933	2.8602	2.8602	1.0897	3.7076	3.7076
C2	2.7409		2.7409	1.8288	1.8288	3.4451	2.8602	1.0933	2.8602	3.7076	1.0897	3.7076
C3	2.7409	2.7409		3.4451	1.8288	1.8288	2.8602	2.8602	1.0933	3.7076	3.7076	1.0897
S4	1.8288	1.8288	3.4451		3.1101	3.1101	2.4206	2.4206	3.7129	2.3797	2.3797	4.4625
S5	3.4451	1.8288	1.8288	3.1101		3.1101	3.7129	2.4206	2.4206	4.4625	2.3797	2.3797
S6	1.8288	3.4451	1.8288	3.1101	3.1101		2.4206	3.7129	2.4206	2.3797	4.4625	2.3797
H7	1.0933	2.8602	2.8602	2.4206	3.7129	2.4206		2.5486	2.5486	1.7722	3.8495	3.8495
H8	2.8602	1.0933	2.8602	2.4206	2.4206	3.7129	2.5486		2.5486	3.8495	1.7722	3.8495
H9	2.8602	2.8602	1.0933	3.7129	2.4206	2.4206	2.5486	2.5486		3.8495	3.8495	1.7722
H10	1.0897	3.7076	3.7076	2.3797	4.4625	2.3797	1.7722	3.8495	3.8495		4.5820	4.5820
H11	3.7076	1.0897	3.7076	2.3797	2.3797	4.4625	3.8495	1.7722	3.8495	4.5820		4.5820
H12	3.7076	3.7076	1.0897	4.4625	2.3797	2.3797	3.8495	3.8495	1.7722	4.5820	4.5820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.070	C1	S6	C3	97.070
C2	S5	C3	97.070	S4	C1	S6	116.492
S4	C1	H7	109.267	S4	C1	H10	106.483
S4	C2	S5	116.492	S4	C2	H8	109.267
S4	C2	H11	106.483	S5	C2	H8	109.267
S5	C2	H11	106.483	S5	C3	S6	116.492
S5	C3	H9	109.267	S5	C3	H12	106.483
S6	C1	H7	109.267	S6	C1	H10	106.483
S6	C3	H9	109.267	S6	C3	H12	106.483
H7	C1	H10	108.547	H8	C2	H11	108.547
H9	C3	H12	108.547

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

using model chemistry: CCSD(T)/TZVP

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: CCSD(T)/TZVP

States and conformations

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