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	hartrees
Energy at 0K	-1310.606083
Energy at 298.15K	-1310.614015
HF Energy	-1309.701113
Nuclear repulsion energy	450.861575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3114	2998
2	A₁	3034	2921
3	A₁	1459	1404
4	A₁	941	906
5	A₁	668	643
6	A₁	408	393
7	A₁	308	297
8	A₂	1250	1203
9	A₂	1153	1110
10	A₂	771	743
11	E	3115	2999
11	E	3115	2999
12	E	3038	2924
12	E	3038	2924
13	E	1440	1386
13	E	1440	1386
14	E	1307	1258
14	E	1306	1257
15	E	1240	1194
15	E	1240	1193
16	E	810	780
16	E	810	780
17	E	755	727
17	E	755	727
18	E	675	650
18	E	675	650
19	E	284	273
19	E	284	273
20	E	191	184
20	E	189	182

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.580	0.411
C2	1.369	-0.790	0.411
C3	-1.369	-0.790	0.411
S4	1.547	0.893	-0.258
S5	0.000	-1.786	-0.258
S6	-1.547	0.893	-0.258
H7	0.000	1.490	1.505
H8	1.290	-0.745	1.505
H9	-1.290	-0.745	1.505
H10	0.000	2.647	0.163
H11	2.292	-1.323	0.163
H12	-2.292	-1.323	0.163

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7372	2.7372	1.8200	3.4321	1.8200	1.0978	2.8757	2.8757	1.0950	3.7077	3.7077
C2	2.7372		2.7372	1.8200	1.8200	3.4321	2.8757	1.0978	2.8757	3.7077	1.0950	3.7077
C3	2.7372	2.7372		3.4321	1.8200	1.8200	2.8757	2.8757	1.0978	3.7077	3.7077	1.0950
S4	1.8200	1.8200	3.4321		3.0934	3.0934	2.4202	2.4202	3.7203	2.3760	2.3760	4.4527
S5	3.4321	1.8200	1.8200	3.0934		3.0934	3.7203	2.4202	2.4202	4.4527	2.3760	2.3760
S6	1.8200	3.4321	1.8200	3.0934	3.0934		2.4202	3.7203	2.4202	2.3760	4.4527	2.3760
H7	1.0978	2.8757	2.8757	2.4202	3.7203	2.4202		2.5809	2.5809	1.7718	3.8693	3.8693
H8	2.8757	1.0978	2.8757	2.4202	2.4202	3.7203	2.5809		2.5809	3.8692	1.7718	3.8693
H9	2.8757	2.8757	1.0978	3.7203	2.4202	2.4202	2.5809	2.5809		3.8692	3.8693	1.7718
H10	1.0950	3.7077	3.7077	2.3760	4.4527	2.3760	1.7718	3.8692	3.8692		4.5844	4.5844
H11	3.7077	1.0950	3.7077	2.3760	2.3760	4.4527	3.8693	1.7718	3.8693	4.5844		4.5844
H12	3.7077	3.7077	1.0950	4.4527	2.3760	2.3760	3.8693	3.8693	1.7718	4.5844	4.5844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.526	C1	S6	C3	97.526
C2	S5	C3	97.526	S4	C1	S6	116.392
S4	C1	H7	109.591	S4	C1	H10	106.534
S4	C2	S5	116.392	S4	C2	H8	109.590
S4	C2	H11	106.534	S5	C2	H8	109.591
S5	C2	H11	106.534	S5	C3	S6	116.392
S5	C3	H9	109.591	S5	C3	H12	106.534
S6	C1	H7	109.591	S6	C1	H10	106.534
S6	C3	H9	109.590	S6	C3	H12	106.534
H7	C1	H10	107.806	H8	C2	H11	107.806
H9	C3	H12	107.806

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-311G*

States and conformations

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