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	hartrees
Energy at 0K	-1304.076193
Energy at 298.15K	-1304.084137
HF Energy	-1303.435099
Nuclear repulsion energy	450.109213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3002	1.29
2	A₁	3080	2930	31.52
3	A₁	1534	1459	19.83
4	A₁	970	923	17.56
5	A₁	659	627	5.82
6	A₁	414	394	0.04
7	A₁	304	290	2.46
8	A₂	1287	1225	0.00
9	A₂	1197	1139	0.00
10	A₂	743	707	0.00
11	E	3157	3004	0.09
11	E	3157	3004	0.09
12	E	3086	2936	2.04
12	E	3086	2936	2.04
13	E	1519	1445	7.17
13	E	1519	1445	7.17
14	E	1332	1267	12.30
14	E	1332	1267	12.30
15	E	1277	1215	17.93
15	E	1277	1215	17.93
16	E	852	810	0.18
16	E	852	810	0.18
17	E	735	699	29.01
17	E	735	699	29.01
18	E	665	633	2.76
18	E	665	633	2.76
19	E	290	276	1.40
19	E	290	276	1.40
20	E	187	178	0.01
20	E	187	178	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.589	0.417
C2	1.376	-0.795	0.417
C3	-1.376	-0.795	0.417
S4	1.545	0.892	-0.261
S5	0.000	-1.784	-0.261
S6	-1.545	0.892	-0.261
H7	0.000	1.490	1.509
H8	1.290	-0.745	1.509
H9	-1.290	-0.745	1.509
H10	0.000	2.654	0.167
H11	2.299	-1.327	0.167
H12	-2.299	-1.327	0.167

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7522	2.7522	1.8257	3.4408	1.8257	1.0962	2.8818	2.8818	1.0941	3.7215	3.7215
C2	2.7522		2.7522	1.8257	1.8257	3.4408	2.8818	1.0962	2.8818	3.7215	1.0941	3.7215
C3	2.7522	2.7522		3.4408	1.8257	1.8257	2.8818	2.8818	1.0962	3.7215	3.7215	1.0941
S4	1.8257	1.8257	3.4408		3.0905	3.0905	2.4243	2.4243	3.7221	2.3823	2.3823	4.4590
S5	3.4408	1.8257	1.8257	3.0905		3.0905	3.7221	2.4243	2.4243	4.4590	2.3823	2.3823
S6	1.8257	3.4408	1.8257	3.0905	3.0905		2.4243	3.7221	2.4243	2.3823	4.4590	2.3823
H7	1.0962	2.8818	2.8818	2.4243	3.7221	2.4243		2.5809	2.5809	1.7764	3.8756	3.8756
H8	2.8818	1.0962	2.8818	2.4243	2.4243	3.7221	2.5809		2.5809	3.8756	1.7764	3.8756
H9	2.8818	2.8818	1.0962	3.7221	2.4243	2.4243	2.5809	2.5809		3.8756	3.8756	1.7764
H10	1.0941	3.7215	3.7215	2.3823	4.4590	2.3823	1.7764	3.8756	3.8756		4.5971	4.5971
H11	3.7215	1.0941	3.7215	2.3823	2.3823	4.4590	3.8756	1.7764	3.8756	4.5971		4.5971
H12	3.7215	3.7215	1.0941	4.4590	2.3823	2.3823	3.8756	3.8756	1.7764	4.5971	4.5971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.832	C1	S6	C3	97.832
C2	S5	C3	97.832	S4	C1	S6	115.644
S4	C1	H7	109.599	S4	C1	H10	106.657
S4	C2	S5	115.644	S4	C2	H8	109.599
S4	C2	H11	106.657	S5	C2	H8	109.599
S5	C2	H11	106.657	S5	C3	S6	115.644
S5	C3	H9	109.599	S5	C3	H12	106.657
S6	C1	H7	109.599	S6	C1	H10	106.657
S6	C3	H9	109.599	S6	C3	H12	106.657
H7	C1	H10	108.397	H8	C2	H11	108.396
H9	C3	H12	108.396

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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