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	hartrees
Energy at 0K	-1310.628693
Energy at 298.15K	-1310.636613
HF Energy	-1309.715402
Nuclear repulsion energy	450.186209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3034	2.74
2	A₁	3088	2950	44.76
3	A₁	1452	1387	8.68
4	A₁	940	898	14.36
5	A₁	669	639	3.98
6	A₁	406	388	0.02
7	A₁	304	290	1.55
8	A₂	1248	1193	0.00
9	A₂	1145	1094	0.00
10	A₂	783	748	0.00
11	E	3177	3035	1.33
11	E	3177	3035	1.33
12	E	3092	2954	5.61
12	E	3092	2954	5.61
13	E	1436	1372	1.88
13	E	1436	1372	1.88
14	E	1312	1253	20.86
14	E	1312	1253	20.86
15	E	1230	1175	11.85
15	E	1230	1175	11.85
16	E	804	769	2.55
16	E	804	769	2.55
17	E	760	726	22.52
17	E	760	726	22.52
18	E	676	646	0.30
18	E	676	646	0.30
19	E	276	264	1.11
19	E	276	264	1.11
20	E	186	178	0.00
20	E	186	178	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.583	0.412
C2	1.371	-0.791	0.412
C3	-1.371	-0.791	0.412
S4	1.551	0.895	-0.259
S5	0.000	-1.791	-0.259
S6	-1.551	0.895	-0.259
H7	0.000	1.485	1.499
H8	1.286	-0.742	1.499
H9	-1.286	-0.742	1.499
H10	0.000	2.642	0.164
H11	2.288	-1.321	0.164
H12	-2.288	-1.321	0.164

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7417	2.7417	1.8241	3.4396	1.8241	1.0914	2.8707	2.8707	1.0881	3.7057	3.7057
C2	2.7417		2.7417	1.8241	1.8241	3.4396	2.8707	1.0914	2.8707	3.7057	1.0881	3.7057
C3	2.7417	2.7417		3.4396	1.8241	1.8241	2.8707	2.8707	1.0914	3.7057	3.7057	1.0881
S4	1.8241	1.8241	3.4396		3.1015	3.1015	2.4169	2.4169	3.7170	2.3741	2.3741	4.4533
S5	3.4396	1.8241	1.8241	3.1015		3.1015	3.7170	2.4169	2.4169	4.4533	2.3741	2.3741
S6	1.8241	3.4396	1.8241	3.1015	3.1015		2.4169	3.7170	2.4169	2.3741	4.4533	2.3741
H7	1.0914	2.8707	2.8707	2.4169	3.7170	2.4169		2.5713	2.5713	1.7670	3.8588	3.8588
H8	2.8707	1.0914	2.8707	2.4169	2.4169	3.7170	2.5713		2.5713	3.8588	1.7670	3.8588
H9	2.8707	2.8707	1.0914	3.7170	2.4169	2.4169	2.5713	2.5713		3.8588	3.8588	1.7670
H10	1.0881	3.7057	3.7057	2.3741	4.4533	2.3741	1.7670	3.8588	3.8588		4.5769	4.5769
H11	3.7057	1.0881	3.7057	2.3741	2.3741	4.4533	3.8588	1.7670	3.8588	4.5769		4.5769
H12	3.7057	3.7057	1.0881	4.4533	2.3741	2.3741	3.8588	3.8588	1.7670	4.5769	4.5769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.443	C1	S6	C3	97.443
C2	S5	C3	97.443	S4	C1	S6	116.453
S4	C1	H7	109.402	S4	C1	H10	106.461
S4	C2	S5	116.453	S4	C2	H8	109.402
S4	C2	H11	106.461	S5	C2	H8	109.402
S5	C2	H11	106.461	S5	C3	S6	116.453
S5	C3	H9	109.402	S5	C3	H12	106.461
S6	C1	H7	109.402	S6	C1	H10	106.461
S6	C3	H9	109.402	S6	C3	H12	106.461
H7	C1	H10	108.328	H8	C2	H11	108.328
H9	C3	H12	108.328

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

using model chemistry: QCISD/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: QCISD/TZVP

States and conformations

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