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	hartrees
Energy at 0K	-1310.470671
Energy at 298.15K	-1310.478608
HF Energy	-1309.613286
Nuclear repulsion energy	450.447491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3145	3026
2	A₁	3064	2948
3	A₁	1484	1428
4	A₁	951	915
5	A₁	674	648
6	A₁	411	396
7	A₁	304	293
8	A₂	1259	1211
9	A₂	1161	1117
10	A₂	785	755
11	E	3147	3028
11	E	3147	3027
12	E	3068	2952
12	E	3068	2952
13	E	1467	1411
13	E	1467	1411
14	E	1313	1264
14	E	1313	1263
15	E	1245	1197
15	E	1244	1197
16	E	825	794
16	E	825	794
17	E	767	738
17	E	766	737
18	E	683	657
18	E	683	657
19	E	288	277
19	E	288	277
20	E	187	180
20	E	185	178

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.586	0.408
C2	1.373	-0.793	0.408
C3	-1.373	-0.793	0.408
S4	1.548	0.893	-0.257
S5	0.000	-1.787	-0.257
S6	-1.548	0.893	-0.257
H7	0.000	1.500	1.503
H8	1.299	-0.750	1.503
H9	-1.299	-0.750	1.503
H10	0.000	2.652	0.155
H11	2.296	-1.326	0.155
H12	-2.296	-1.326	0.155

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7463	2.7463	1.8210	3.4374	1.8210	1.0987	2.8881	2.8881	1.0958	3.7167	3.7167
C2	2.7463		2.7463	1.8210	1.8210	3.4374	2.8881	1.0987	2.8881	3.7167	1.0958	3.7167
C3	2.7463	2.7463		3.4374	1.8210	1.8210	2.8881	2.8881	1.0987	3.7167	3.7167	1.0958
S4	1.8210	1.8210	3.4374		3.0952	3.0952	2.4209	2.4209	3.7284	2.3781	2.3781	4.4577
S5	3.4374	1.8210	1.8210	3.0952		3.0952	3.7284	2.4209	2.4209	4.4577	2.3781	2.3781
S6	1.8210	3.4374	1.8210	3.0952	3.0952		2.4209	3.7284	2.4209	2.3781	4.4577	2.3781
H7	1.0987	2.8881	2.8881	2.4209	3.7284	2.4209		2.5977	2.5977	1.7737	3.8829	3.8829
H8	2.8881	1.0987	2.8881	2.4209	2.4209	3.7284	2.5977		2.5977	3.8829	1.7737	3.8829
H9	2.8881	2.8881	1.0987	3.7284	2.4209	2.4209	2.5977	2.5977		3.8829	3.8829	1.7737
H10	1.0958	3.7167	3.7167	2.3781	4.4577	2.3781	1.7737	3.8829	3.8829		4.5928	4.5928
H11	3.7167	1.0958	3.7167	2.3781	2.3781	4.4577	3.8829	1.7737	3.8829	4.5928		4.5928
H12	3.7167	3.7167	1.0958	4.4577	2.3781	2.3781	3.8829	3.8829	1.7737	4.5928	4.5928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.888	C1	S6	C3	97.888
C2	S5	C3	97.888	S4	C1	S6	116.396
S4	C1	H7	109.530	S4	C1	H10	106.579
S4	C2	S5	116.396	S4	C2	H8	109.530
S4	C2	H11	106.579	S5	C2	H8	109.530
S5	C2	H11	106.579	S5	C3	S6	116.396
S5	C3	H9	109.530	S5	C3	H12	106.579
S6	C1	H7	109.530	S6	C1	H10	106.579
S6	C3	H9	109.530	S6	C3	H12	106.579
H7	C1	H10	107.846	H8	C2	H11	107.845
H9	C3	H12	107.845

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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