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	hartrees
Energy at 0K	-1303.613154
Energy at 298.15K	-1303.620678
HF Energy	-1303.108313
Nuclear repulsion energy	434.854103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3216	0.82
2	A₁	3133	3133	26.12
3	A₁	1520	1520	17.90
4	A₁	927	927	18.24
5	A₁	595	595	5.62
6	A₁	379	379	0.14
7	A₁	266	266	2.41
8	A₂	1243	1243	0.00
9	A₂	1153	1153	0.00
10	A₂	695	695	0.00
11	E	3217	3217	0.25
11	E	3217	3217	0.25
12	E	3138	3138	1.62
12	E	3138	3138	1.62
13	E	1503	1503	4.90
13	E	1503	1503	4.90
14	E	1293	1293	12.16
14	E	1293	1293	12.16
15	E	1225	1225	20.74
15	E	1225	1225	20.74
16	E	815	815	0.18
16	E	815	815	0.18
17	E	687	687	28.14
17	E	687	687	28.14
18	E	604	604	0.34
18	E	604	604	0.34
19	E	265	265	1.01
19	E	265	265	1.01
20	E	163	163	0.01
20	E	163	163	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.646	0.443
C2	1.425	-0.823	0.443
C3	-1.425	-0.823	0.443
S4	1.605	0.927	-0.274
S5	0.000	-1.853	-0.274
S6	-1.605	0.927	-0.274
H7	0.000	1.516	1.527
H8	1.313	-0.758	1.527
H9	-1.313	-0.758	1.527
H10	0.000	2.706	0.192
H11	2.343	-1.353	0.192
H12	-2.343	-1.353	0.192

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.8507	2.8507	1.8993	3.5718	1.8993	1.0912	2.9457	2.9457	1.0891	3.8138	3.8138
C2	2.8507		2.8507	1.8993	1.8993	3.5718	2.9457	1.0912	2.9457	3.8138	1.0891	3.8138
C3	2.8507	2.8507		3.5718	1.8993	1.8993	2.9457	2.9457	1.0912	3.8138	3.8138	1.0891
S4	1.8993	1.8993	3.5718		3.2099	3.2099	2.4830	2.4830	3.8203	2.4408	2.4408	4.5825
S5	3.5718	1.8993	1.8993	3.2099		3.2099	3.8203	2.4830	2.4830	4.5825	2.4408	2.4408
S6	1.8993	3.5718	1.8993	3.2099	3.2099		2.4830	3.8203	2.4830	2.4408	4.5825	2.4408
H7	1.0912	2.9457	2.9457	2.4830	3.8203	2.4830		2.6262	2.6262	1.7879	3.9374	3.9374
H8	2.9457	1.0912	2.9457	2.4830	2.4830	3.8203	2.6262		2.6262	3.9374	1.7879	3.9374
H9	2.9457	2.9457	1.0912	3.8203	2.4830	2.4830	2.6262	2.6262		3.9374	3.9374	1.7879
H10	1.0891	3.8138	3.8138	2.4408	4.5825	2.4408	1.7879	3.9374	3.9374		4.6862	4.6862
H11	3.8138	1.0891	3.8138	2.4408	2.4408	4.5825	3.9374	1.7879	3.9374	4.6862		4.6862
H12	3.8138	3.8138	1.0891	4.5825	2.4408	2.4408	3.9374	3.9374	1.7879	4.6862	4.6862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.264	C1	S6	C3	97.264
C2	S5	C3	97.264	S4	C1	S6	115.350
S4	C1	H7	109.260	S4	C1	H10	106.340
S4	C2	S5	115.350	S4	C2	H8	109.260
S4	C2	H11	106.340	S5	C2	H8	109.260
S5	C2	H11	106.340	S5	C3	S6	115.350
S5	C3	H9	109.260	S5	C3	H12	106.340
S6	C1	H7	109.260	S6	C1	H10	106.340
S6	C3	H9	109.260	S6	C3	H12	106.340
H7	C1	H10	110.167	H8	C2	H11	110.167
H9	C3	H12	110.167

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G

States and conformations

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