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	hartrees
Energy at 0K	-1303.528821
Energy at 298.15K	-1303.536512
HF Energy	-1303.109874
Nuclear repulsion energy	437.394163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3074	0.41
2	A₁	3187	3000	23.74
3	A₁	1547	1456	17.98
4	A₁	954	898	20.29
5	A₁	616	579	6.87
6	A₁	394	371	0.17
7	A₁	271	255	3.02
8	A₂	1270	1196	0.00
9	A₂	1181	1112	0.00
10	A₂	730	687	0.00
11	E	3266	3075	0.82
11	E	3266	3075	0.82
12	E	3189	3002	1.66
12	E	3189	3002	1.66
13	E	1529	1440	5.69
13	E	1529	1440	5.69
14	E	1323	1245	12.68
14	E	1323	1245	12.68
15	E	1255	1181	23.08
15	E	1255	1181	23.08
16	E	837	788	0.07
16	E	837	788	0.07
17	E	717	675	29.29
17	E	717	675	29.30
18	E	625	589	0.29
18	E	625	589	0.29
19	E	274	258	0.96
19	E	274	258	0.96
20	E	165	156	0.00
20	E	165	156	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.642	0.436
C2	1.422	-0.821	0.436
C3	-1.422	-0.821	0.436
S4	1.594	0.920	-0.269
S5	0.000	-1.841	-0.269
S6	-1.594	0.920	-0.269
H7	0.000	1.531	1.516
H8	1.326	-0.765	1.516
H9	-1.326	-0.765	1.516
H10	0.000	2.696	0.174
H11	2.334	-1.348	0.174
H12	-2.334	-1.348	0.174

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.8448	2.8448	1.8865	3.5537	1.8865	1.0867	2.9536	2.9536	1.0851	3.8026	3.8026
C2	2.8448		2.8448	1.8865	1.8865	3.5537	2.9536	1.0867	2.9536	3.8026	1.0851	3.8026
C3	2.8448	2.8448		3.5537	1.8865	1.8865	2.9536	2.9536	1.0867	3.8026	3.8026	1.0851
S4	1.8865	1.8865	3.5537		3.1882	3.1882	2.4701	2.4701	3.8150	2.4266	2.4266	4.5578
S5	3.5537	1.8865	1.8865	3.1882		3.1882	3.8150	2.4701	2.4701	4.5578	2.4266	2.4266
S6	1.8865	3.5537	1.8865	3.1882	3.1882		2.4701	3.8150	2.4701	2.4266	4.5578	2.4266
H7	1.0867	2.9536	2.9536	2.4701	3.8150	2.4701		2.6514	2.6514	1.7776	3.9419	3.9419
H8	2.9536	1.0867	2.9536	2.4701	2.4701	3.8150	2.6514		2.6514	3.9419	1.7776	3.9419
H9	2.9536	2.9536	1.0867	3.8150	2.4701	2.4701	2.6514	2.6514		3.9419	3.9419	1.7776
H10	1.0851	3.8026	3.8026	2.4266	4.5578	2.4266	1.7776	3.9419	3.9419		4.6688	4.6688
H11	3.8026	1.0851	3.8026	2.4266	2.4266	4.5578	3.9419	1.7776	3.9419	4.6688		4.6688
H12	3.8026	3.8026	1.0851	4.5578	2.4266	2.4266	3.9419	3.9419	1.7776	4.6688	4.6688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.876	C1	S6	C3	97.876
C2	S5	C3	97.876	S4	C1	S6	115.344
S4	C1	H7	109.397	S4	C1	H10	106.342
S4	C2	S5	115.344	S4	C2	H8	109.397
S4	C2	H11	106.342	S5	C2	H8	109.397
S5	C2	H11	106.342	S5	C3	S6	115.344
S5	C3	H9	109.397	S5	C3	H12	106.342
S6	C1	H7	109.397	S6	C1	H10	106.342
S6	C3	H9	109.397	S6	C3	H12	106.342
H7	C1	H10	109.862	H8	C2	H11	109.862
H9	C3	H12	109.862

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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