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	hartrees
Energy at 0K	-1310.563789
Energy at 298.15K	-1310.571723
HF Energy	-1309.715184
Nuclear repulsion energy	451.927697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3023	1.66
2	A₁	3092	2931	40.71
3	A₁	1436	1361	11.52
4	A₁	932	884	14.75
5	A₁	677	642	4.15
6	A₁	406	385	0.01
7	A₁	310	294	1.47
8	A₂	1239	1174	0.00
9	A₂	1144	1084	0.00
10	A₂	781	740	0.00
11	E	3191	3025	0.25
11	E	3191	3025	0.25
12	E	3099	2937	3.98
12	E	3099	2937	3.98
13	E	1419	1345	2.85
13	E	1419	1345	2.85
14	E	1305	1237	19.65
14	E	1305	1237	19.65
15	E	1229	1165	12.15
15	E	1229	1165	12.15
16	E	799	758	4.03
16	E	799	758	4.03
17	E	761	721	25.39
17	E	761	721	25.39
18	E	683	647	0.44
18	E	683	647	0.44
19	E	273	259	1.35
19	E	273	259	1.35
20	E	190	180	0.01
20	E	190	180	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.571	0.413
C2	1.361	-0.786	0.413
C3	-1.361	-0.786	0.413
S4	1.545	0.892	-0.259
S5	0.000	-1.785	-0.259
S6	-1.545	0.892	-0.259
H7	0.000	1.464	1.499
H8	1.268	-0.732	1.499
H9	-1.268	-0.732	1.499
H10	0.000	2.633	0.174
H11	2.280	-1.316	0.174
H12	-2.280	-1.316	0.174

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7218	2.7218	1.8171	3.4227	1.8171	1.0916	2.8451	2.8451	1.0880	3.6873	3.6873
C2	2.7218		2.7218	1.8171	1.8171	3.4227	2.8451	1.0916	2.8451	3.6873	1.0880	3.6873
C3	2.7218	2.7218		3.4227	1.8171	1.8171	2.8451	2.8451	1.0916	3.6873	3.6873	1.0880
S4	1.8171	1.8171	3.4227		3.0909	3.0909	2.4101	2.4101	3.6943	2.3677	2.3677	4.4386
S5	3.4227	1.8171	1.8171	3.0909		3.0909	3.6943	2.4101	2.4101	4.4386	2.3677	2.3677
S6	1.8171	3.4227	1.8171	3.0909	3.0909		2.4101	3.6943	2.4101	2.3677	4.4386	2.3677
H7	1.0916	2.8451	2.8451	2.4101	3.6943	2.4101		2.5361	2.5361	1.7670	3.8324	3.8324
H8	2.8451	1.0916	2.8451	2.4101	2.4101	3.6943	2.5361		2.5361	3.8324	1.7670	3.8324
H9	2.8451	2.8451	1.0916	3.6943	2.4101	2.4101	2.5361	2.5361		3.8324	3.8324	1.7670
H10	1.0880	3.6873	3.6873	2.3677	4.4386	2.3677	1.7670	3.8324	3.8324		4.5602	4.5602
H11	3.6873	1.0880	3.6873	2.3677	2.3677	4.4386	3.8324	1.7670	3.8324	4.5602		4.5602
H12	3.6873	3.6873	1.0880	4.4386	2.3677	2.3677	3.8324	3.8324	1.7670	4.5602	4.5602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	96.998	C1	S6	C3	96.998
C2	S5	C3	96.998	S4	C1	S6	116.533
S4	C1	H7	109.362	S4	C1	H10	106.459
S4	C2	S5	116.533	S4	C2	H8	109.362
S4	C2	H11	106.459	S5	C2	H8	109.362
S5	C2	H11	106.459	S5	C3	S6	116.533
S5	C3	H9	109.362	S5	C3	H12	106.459
S6	C1	H7	109.362	S6	C1	H10	106.459
S6	C3	H9	109.362	S6	C3	H12	106.459
H7	C1	H10	108.331	H8	C2	H11	108.331
H9	C3	H12	108.331

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

using model chemistry: MP2/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: MP2/TZVP

States and conformations

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