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	hartrees
Energy at 0K	-1310.825915
Energy at 298.15K	-1310.833825
HF Energy	-1309.764792
Nuclear repulsion energy	454.239251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3007	0.56
2	A₁	3063	2919	23.10
3	A₁	1442	1374	12.06
4	A₁	919	876	9.25
5	A₁	674	642	2.19
6	A₁	399	380	0.00
7	A₁	302	288	1.02
8	A₂	1193	1137	0.00
9	A₂	1125	1072	0.00
10	A₂	782	745	0.00
11	E	3158	3009	0.29
11	E	3158	3009	0.29
12	E	3072	2928	2.11
12	E	3072	2928	2.11
13	E	1428	1360	2.95
13	E	1428	1360	2.95
14	E	1247	1188	10.36
14	E	1247	1188	10.36
15	E	1205	1148	15.66
15	E	1205	1148	15.66
16	E	801	763	1.44
16	E	801	763	1.44
17	E	766	729	25.83
17	E	766	729	25.83
18	E	686	654	1.14
18	E	686	654	1.14
19	E	278	265	1.40
19	E	278	265	1.40
20	E	184	176	0.03
20	E	184	176	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.572	0.411
C2	1.361	-0.786	0.411
C3	-1.361	-0.786	0.411
S4	1.533	0.885	-0.258
S5	0.000	-1.770	-0.258
S6	-1.533	0.885	-0.258
H7	0.000	1.470	1.498
H8	1.273	-0.735	1.498
H9	-1.273	-0.735	1.498
H10	0.000	2.632	0.161
H11	2.279	-1.316	0.161
H12	-2.279	-1.316	0.161

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7225	2.7225	1.8077	3.4077	1.8077	1.0918	2.8503	2.8503	1.0887	3.6870	3.6870
C2	2.7225		2.7225	1.8077	1.8077	3.4077	2.8503	1.0918	2.8503	3.6870	1.0887	3.6870
C3	2.7225	2.7225		3.4077	1.8077	1.8077	2.8503	2.8503	1.0918	3.6870	3.6870	1.0887
S4	1.8077	1.8077	3.4077		3.0650	3.0650	2.4030	2.4030	3.6849	2.3612	2.3612	4.4210
S5	3.4077	1.8077	1.8077	3.0650		3.0650	3.6849	2.4030	2.4030	4.4210	2.3612	2.3612
S6	1.8077	3.4077	1.8077	3.0650	3.0650		2.4030	3.6849	2.4030	2.3612	4.4210	2.3612
H7	1.0918	2.8503	2.8503	2.4030	3.6849	2.4030		2.5462	2.5462	1.7710	3.8395	3.8395
H8	2.8503	1.0918	2.8503	2.4030	2.4030	3.6849	2.5462		2.5462	3.8395	1.7710	3.8395
H9	2.8503	2.8503	1.0918	3.6849	2.4030	2.4030	2.5462	2.5462		3.8395	3.8395	1.7710
H10	1.0887	3.6870	3.6870	2.3612	4.4210	2.3612	1.7710	3.8395	3.8395		4.5579	4.5579
H11	3.6870	1.0887	3.6870	2.3612	2.3612	4.4210	3.8395	1.7710	3.8395	4.5579		4.5579
H12	3.6870	3.6870	1.0887	4.4210	2.3612	2.3612	3.8395	3.8395	1.7710	4.5579	4.5579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.703	C1	S6	C3	97.703
C2	S5	C3	97.703	S4	C1	S6	115.937
S4	C1	H7	109.447	S4	C1	H10	106.560
S4	C2	S5	115.937	S4	C2	H8	109.447
S4	C2	H11	106.560	S5	C2	H8	109.447
S5	C2	H11	106.560	S5	C3	S6	115.937
S5	C3	H9	109.447	S5	C3	H12	106.560
S6	C1	H7	109.447	S6	C1	H10	106.560
S6	C3	H9	109.447	S6	C3	H12	106.560
H7	C1	H10	108.612	H8	C2	H11	108.612
H9	C3	H12	108.612

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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