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	hartrees
Energy at 0K	-1310.621350
Energy at 298.15K	-1310.629357
HF Energy	-1309.711197
Nuclear repulsion energy	451.908025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3008	3.45
2	A₁	3076	2935	49.24
3	A₁	1444	1378	10.43
4	A₁	943	899	21.35
5	A₁	679	648	2.18
6	A₁	412	393	0.07
7	A₁	308	294	1.12
8	A₂	1255	1198	0.00
9	A₂	1155	1102	0.00
10	A₂	796	760	0.00
11	E	3154	3009	0.94
11	E	3154	3009	0.94
12	E	3080	2938	4.75
12	E	3080	2938	4.75
13	E	1428	1363	3.17
13	E	1428	1363	3.17
14	E	1313	1253	23.30
14	E	1313	1253	23.30
15	E	1242	1185	13.02
15	E	1242	1185	13.02
16	E	811	773	3.39
16	E	811	773	3.39
17	E	772	736	21.51
17	E	772	736	21.51
18	E	687	656	0.93
18	E	687	656	0.93
19	E	287	274	0.80
19	E	287	274	0.80
20	E	190	181	0.00
20	E	190	181	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.577	0.408
C2	1.366	-0.788	0.408
C3	-1.366	-0.788	0.408
S4	1.544	0.891	-0.257
S5	0.000	-1.782	-0.257
S6	-1.544	0.891	-0.257
H7	0.000	1.490	1.500
H8	1.290	-0.745	1.500
H9	-1.290	-0.745	1.500
H10	0.000	2.641	0.159
H11	2.287	-1.320	0.159
H12	-2.287	-1.320	0.159

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7311	2.7311	1.8153	3.4244	1.8153	1.0953	2.8719	2.8719	1.0926	3.6993	3.6993
C2	2.7311		2.7311	1.8153	1.8153	3.4244	2.8719	1.0953	2.8719	3.6993	1.0926	3.6993
C3	2.7311	2.7311		3.4244	1.8153	1.8153	2.8719	2.8719	1.0953	3.6993	3.6993	1.0926
S4	1.8153	1.8153	3.4244		3.0870	3.0870	2.4143	2.4143	3.7142	2.3697	2.3697	4.4423
S5	3.4244	1.8153	1.8153	3.0870		3.0870	3.7142	2.4143	2.4143	4.4423	2.3697	2.3697
S6	1.8153	3.4244	1.8153	3.0870	3.0870		2.4143	3.7142	2.4143	2.3697	4.4423	2.3697
H7	1.0953	2.8719	2.8719	2.4143	3.7142	2.4143		2.5807	2.5807	1.7672	3.8634	3.8634
H8	2.8719	1.0953	2.8719	2.4143	2.4143	3.7142	2.5807		2.5807	3.8634	1.7672	3.8634
H9	2.8719	2.8719	1.0953	3.7142	2.4143	2.4143	2.5807	2.5807		3.8634	3.8634	1.7672
H10	1.0926	3.6993	3.6993	2.3697	4.4423	2.3697	1.7672	3.8634	3.8634		4.5735	4.5735
H11	3.6993	1.0926	3.6993	2.3697	2.3697	4.4423	3.8634	1.7672	3.8634	4.5735		4.5735
H12	3.6993	3.6993	1.0926	4.4423	2.3697	2.3697	3.8634	3.8634	1.7672	4.5735	4.5735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.573	C1	S6	C3	97.573
C2	S5	C3	97.573	S4	C1	S6	116.487
S4	C1	H7	109.598	S4	C1	H10	106.501
S4	C2	S5	116.487	S4	C2	H8	109.598
S4	C2	H11	106.501	S5	C2	H8	109.598
S5	C2	H11	106.501	S5	C3	S6	116.487
S5	C3	H9	109.598	S5	C3	H12	106.501
S6	C1	H7	109.598	S6	C1	H10	106.501
S6	C3	H9	109.598	S6	C3	H12	106.501
H7	C1	H10	107.749	H8	C2	H11	107.749
H9	C3	H12	107.749

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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