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	hartrees
Energy at 0K	-1310.625911
Energy at 298.15K	-1310.633739
HF Energy	-1309.689905
Nuclear repulsion energy	448.258765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3043	1.97
2	A₁	3053	2958	31.53
3	A₁	1431	1386	8.46
4	A₁	920	891	8.98
5	A₁	658	638	2.27
6	A₁	396	384	0.01
7	A₁	291	282	1.23
8	A₂	1192	1155	0.00
9	A₂	1116	1081	0.00
10	A₂	773	748	0.00
11	E	3143	3044	0.50
11	E	3143	3044	0.50
12	E	3057	2962	4.43
12	E	3057	2962	4.43
13	E	1414	1369	1.37
13	E	1414	1369	1.37
14	E	1251	1212	14.28
14	E	1251	1212	14.28
15	E	1196	1159	15.27
15	E	1196	1159	15.27
16	E	796	771	1.58
16	E	796	771	1.58
17	E	751	728	25.28
17	E	751	728	25.28
18	E	669	648	0.57
18	E	669	648	0.57
19	E	278	269	1.29
19	E	278	269	1.29
20	E	177	172	0.01
20	E	177	172	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.596	0.414
C2	1.382	-0.798	0.414
C3	-1.382	-0.798	0.414
S4	1.553	0.896	-0.260
S5	0.000	-1.793	-0.260
S6	-1.553	0.896	-0.260
H7	0.000	1.500	1.514
H8	1.299	-0.750	1.514
H9	-1.299	-0.750	1.514
H10	0.000	2.666	0.155
H11	2.309	-1.333	0.155
H12	-2.309	-1.333	0.155

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7644	2.7644	1.8316	3.4553	1.8316	1.1039	2.8983	2.8983	1.1012	3.7390	3.7390
C2	2.7644		2.7644	1.8316	1.8316	3.4553	2.8983	1.1039	2.8983	3.7390	1.1012	3.7390
C3	2.7644	2.7644		3.4553	1.8316	1.8316	2.8983	2.8983	1.1039	3.7390	3.7390	1.1012
S4	1.8316	1.8316	3.4553		3.1054	3.1054	2.4333	2.4333	3.7401	2.3908	2.3908	4.4786
S5	3.4553	1.8316	1.8316	3.1054		3.1054	3.7401	2.4333	2.4333	4.4786	2.3908	2.3908
S6	1.8316	3.4553	1.8316	3.1054	3.1054		2.4333	3.7401	2.4333	2.3908	4.4786	2.3908
H7	1.1039	2.8983	2.8983	2.4333	3.7401	2.4333		2.5978	2.5978	1.7907	3.8993	3.8993
H8	2.8983	1.1039	2.8983	2.4333	2.4333	3.7401	2.5978		2.5978	3.8993	1.7907	3.8993
H9	2.8983	2.8983	1.1039	3.7401	2.4333	2.4333	2.5978	2.5978		3.8993	3.8993	1.7907
H10	1.1012	3.7390	3.7390	2.3908	4.4786	2.3908	1.7907	3.8993	3.8993		4.6184	4.6184
H11	3.7390	1.1012	3.7390	2.3908	2.3908	4.4786	3.8993	1.7907	3.8993	4.6184		4.6184
H12	3.7390	3.7390	1.1012	4.4786	2.3908	2.3908	3.8993	3.8993	1.7907	4.6184	4.6184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.991	C1	S6	C3	97.991
C2	S5	C3	97.991	S4	C1	S6	115.934
S4	C1	H7	109.471	S4	C1	H10	106.543
S4	C2	S5	115.934	S4	C2	H8	109.471
S4	C2	H11	106.543	S5	C2	H8	109.471
S5	C2	H11	106.543	S5	C3	S6	115.934
S5	C3	H9	109.471	S5	C3	H12	106.543
S6	C1	H7	109.471	S6	C1	H10	106.543
S6	C3	H9	109.471	S6	C3	H12	106.543
H7	C1	H10	108.599	H8	C2	H11	108.599
H9	C3	H12	108.599

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

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