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	hartrees
Energy at 0K	-1310.270514
Energy at 298.15K	-1310.278697
HF Energy	-1309.614701
Nuclear repulsion energy	453.596472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3023	1.75
2	A₁	3196	2952	33.82
3	A₁	1548	1430	13.79
4	A₁	996	920	18.78
5	A₁	707	653	5.24
6	A₁	433	400	0.06
7	A₁	310	286	2.56
8	A₂	1320	1219	0.00
9	A₂	1210	1118	0.00
10	A₂	851	786	0.00
11	E	3274	3024	0.02
11	E	3274	3024	0.02
12	E	3199	2955	3.66
12	E	3199	2955	3.66
13	E	1531	1414	5.99
13	E	1531	1414	5.99
14	E	1374	1269	16.95
14	E	1374	1269	16.95
15	E	1299	1200	20.92
15	E	1299	1200	20.92
16	E	866	800	0.86
16	E	866	800	0.86
17	E	818	755	18.85
17	E	818	755	18.85
18	E	720	665	0.56
18	E	720	665	0.56
19	E	303	280	0.92
19	E	303	280	0.92
20	E	191	176	0.00
20	E	191	176	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.584	0.398
C2	1.372	-0.792	0.398
C3	-1.372	-0.792	0.398
S4	1.536	0.887	-0.250
S5	0.000	-1.773	-0.250
S6	-1.536	0.887	-0.250
H7	0.000	1.526	1.484
H8	1.322	-0.763	1.484
H9	-1.322	-0.763	1.484
H10	0.000	2.635	0.126
H11	2.282	-1.317	0.126
H12	-2.282	-1.317	0.126

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7430	2.7430	1.8067	3.4189	1.8067	1.0879	2.9040	2.9040	1.0856	3.7009	3.7009
C2	2.7430		2.7430	1.8067	1.8067	3.4189	2.9040	1.0879	2.9040	3.7009	1.0856	3.7009
C3	2.7430	2.7430		3.4189	1.8067	1.8067	2.9040	2.9040	1.0879	3.7009	3.7009	1.0856
S4	1.8067	1.8067	3.4189		3.0714	3.0714	2.4031	2.4031	3.7273	2.3570	2.3570	4.4240
S5	3.4189	1.8067	1.8067	3.0714		3.0714	3.7273	2.4031	2.4031	4.4240	2.3570	2.3570
S6	1.8067	3.4189	1.8067	3.0714	3.0714		2.4031	3.7273	2.4031	2.3570	4.4240	2.3570
H7	1.0879	2.9040	2.9040	2.4031	3.7273	2.4031		2.6430	2.6430	1.7534	3.8905	3.8905
H8	2.9040	1.0879	2.9040	2.4031	2.4031	3.7273	2.6430		2.6430	3.8905	1.7534	3.8905
H9	2.9040	2.9040	1.0879	3.7273	2.4031	2.4031	2.6430	2.6430		3.8905	3.8905	1.7534
H10	1.0856	3.7009	3.7009	2.3570	4.4240	2.3570	1.7534	3.8905	3.8905		4.5634	4.5634
H11	3.7009	1.0856	3.7009	2.3570	2.3570	4.4240	3.8905	1.7534	3.8905	4.5634		4.5634
H12	3.7009	3.7009	1.0856	4.4240	2.3570	2.3570	3.8905	3.8905	1.7534	4.5634	4.5634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.777	C1	S6	C3	98.777
C2	S5	C3	98.777	S4	C1	S6	116.428
S4	C1	H7	109.733	S4	C1	H10	106.479
S4	C2	S5	116.428	S4	C2	H8	109.733
S4	C2	H11	106.479	S5	C2	H8	109.733
S5	C2	H11	106.479	S5	C3	S6	116.428
S5	C3	H9	109.733	S5	C3	H12	106.479
S6	C1	H7	109.733	S6	C1	H10	106.479
S6	C3	H9	109.733	S6	C3	H12	106.479
H7	C1	H10	107.553	H8	C2	H11	107.553
H9	C3	H12	107.553

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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