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	hartrees
Energy at 0K	-1310.552469
Energy at 298.15K	-1310.560358
HF Energy	-1309.674265
Nuclear repulsion energy	448.816530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3023	2.15
2	A₁	3099	2937	43.38
3	A₁	1444	1368	11.12
4	A₁	928	879	11.46
5	A₁	667	632	4.29
6	A₁	404	383	0.03
7	A₁	296	281	2.16
8	A₂	1203	1141	0.00
9	A₂	1123	1065	0.00
10	A₂	785	744	0.00
11	E	3190	3024	0.14
11	E	3190	3024	0.14
12	E	3104	2943	5.39
12	E	3104	2943	5.39
13	E	1428	1354	2.03
13	E	1428	1354	2.03
14	E	1261	1195	17.14
14	E	1261	1195	17.14
15	E	1206	1143	13.19
15	E	1206	1143	13.19
16	E	801	759	1.17
16	E	801	759	1.17
17	E	763	724	22.59
17	E	763	724	22.59
18	E	677	642	0.96
18	E	677	642	0.96
19	E	283	269	1.10
19	E	283	269	1.10
20	E	181	171	0.00
20	E	181	171	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.592	0.410
C2	1.379	-0.796	0.410
C3	-1.379	-0.796	0.410
S4	1.553	0.896	-0.257
S5	0.000	-1.793	-0.257
S6	-1.553	0.896	-0.257
H7	0.000	1.508	1.511
H8	1.306	-0.754	1.511
H9	-1.306	-0.754	1.511
H10	0.000	2.661	0.148
H11	2.304	-1.330	0.148
H12	-2.304	-1.330	0.148

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7581	2.7581	1.8277	3.4503	1.8277	1.1038	2.9018	2.9018	1.1003	3.7313	3.7313
C2	2.7581		2.7581	1.8277	1.8277	3.4503	2.9018	1.1038	2.9018	3.7313	1.1003	3.7313
C3	2.7581	2.7581		3.4503	1.8277	1.8277	2.9018	2.9018	1.1038	3.7313	3.7313	1.1003
S4	1.8277	1.8277	3.4503		3.1052	3.1052	2.4311	2.4311	3.7441	2.3850	2.3850	4.4721
S5	3.4503	1.8277	1.8277	3.1052		3.1052	3.7441	2.4311	2.4311	4.4721	2.3850	2.3850
S6	1.8277	3.4503	1.8277	3.1052	3.1052		2.4311	3.7441	2.4311	2.3850	4.4721	2.3850
H7	1.1038	2.9018	2.9018	2.4311	3.7441	2.4311		2.6112	2.6112	1.7855	3.9016	3.9016
H8	2.9018	1.1038	2.9018	2.4311	2.4311	3.7441	2.6112		2.6112	3.9016	1.7855	3.9016
H9	2.9018	2.9018	1.1038	3.7441	2.4311	2.4311	2.6112	2.6112		3.9016	3.9016	1.7855
H10	1.1003	3.7313	3.7313	2.3850	4.4721	2.3850	1.7855	3.9016	3.9016		4.6089	4.6089
H11	3.7313	1.1003	3.7313	2.3850	2.3850	4.4721	3.9016	1.7855	3.9016	4.6089		4.6089
H12	3.7313	3.7313	1.1003	4.4721	2.3850	2.3850	3.9016	3.9016	1.7855	4.6089	4.6089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.966	C1	S6	C3	97.966
C2	S5	C3	97.966	S4	C1	S6	116.309
S4	C1	H7	109.566	S4	C1	H10	106.419
S4	C2	S5	116.309	S4	C2	H8	109.566
S4	C2	H11	106.419	S5	C2	H8	109.566
S5	C2	H11	106.419	S5	C3	S6	116.309
S5	C3	H9	109.566	S5	C3	H12	106.419
S6	C1	H7	109.566	S6	C1	H10	106.419
S6	C3	H9	109.566	S6	C3	H12	106.419
H7	C1	H10	108.209	H8	C2	H11	108.209
H9	C3	H12	108.209

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

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

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