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	hartrees
Energy at 0K	-50.494055
Energy at 298.15K	-50.501966
HF Energy	-49.751978
Nuclear repulsion energy	122.678668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3030	7.41
2	A₁	3093	2937	52.99
3	A₁	1465	1391	14.41
4	A₁	947	899	17.96
5	A₁	678	644	4.51
6	A₁	404	384	0.00
7	A₁	306	290	1.84
8	A₂	1239	1176	0.00
9	A₂	1147	1089	0.00
10	A₂	793	753	0.00
11	E	3194	3032	0.30
11	E	3194	3032	0.30
12	E	3102	2945	7.73
12	E	3102	2945	7.73
13	E	1451	1378	3.32
13	E	1451	1378	3.32
14	E	1304	1238	21.36
14	E	1304	1238	21.36
15	E	1234	1172	15.87
15	E	1234	1172	15.87
16	E	818	777	2.97
16	E	818	777	2.97
17	E	772	733	33.70
17	E	772	733	33.70
18	E	690	655	0.91
18	E	690	655	0.91
19	E	281	266	1.45
19	E	281	266	1.45
20	E	185	176	0.02
20	E	185	176	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.592	0.416
C2	1.379	-0.796	0.416
C3	-1.379	-0.796	0.416
S4	1.553	0.897	-0.260
S5	0.000	-1.793	-0.260
S6	-1.553	0.897	-0.260
H7	0.000	1.499	1.517
H8	1.298	-0.750	1.517
H9	-1.298	-0.750	1.517
H10	0.000	2.663	0.150
H11	2.306	-1.331	0.150
H12	-2.306	-1.331	0.150

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7577	2.7577	1.8311	3.4524	1.8311	1.1055	2.8953	2.8953	1.1029	3.7329	3.7329
C2	2.7577		2.7578	1.8311	1.8311	3.4524	2.8953	1.1055	2.8953	3.7329	1.1029	3.7329
C3	2.7577	2.7578		3.4524	1.8311	1.8311	2.8953	2.8953	1.1055	3.7329	3.7329	1.1029
S4	1.8311	1.8311	3.4524		3.1063	3.1063	2.4362	2.4362	3.7418	2.3872	2.3872	4.4748
S5	3.4524	1.8311	1.8311	3.1063		3.1063	3.7418	2.4362	2.4362	4.4748	2.3872	2.3872
S6	1.8311	3.4524	1.8311	3.1063	3.1063		2.4362	3.7418	2.4362	2.3872	4.4748	2.3872
H7	1.1055	2.8953	2.8953	2.4362	3.7418	2.4362		2.5966	2.5966	1.7954	3.8984	3.8984
H8	2.8953	1.1055	2.8953	2.4362	2.4362	3.7418	2.5966		2.5966	3.8984	1.7954	3.8984
H9	2.8953	2.8953	1.1055	3.7418	2.4362	2.4362	2.5966	2.5966		3.8984	3.8984	1.7954
H10	1.1029	3.7329	3.7329	2.3872	4.4748	2.3872	1.7954	3.8984	3.8984		4.6117	4.6117
H11	3.7329	1.1029	3.7329	2.3872	2.3872	4.4748	3.8984	1.7954	3.8984	4.6117		4.6117
H12	3.7329	3.7329	1.1029	4.4748	2.3872	2.3872	3.8984	3.8984	1.7954	4.6117	4.6117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.706	C1	S6	C3	97.706
C2	S5	C3	97.706	S4	C1	S6	116.032
S4	C1	H7	109.628	S4	C1	H10	106.238
S4	C2	S5	116.032	S4	C2	H8	109.628
S4	C2	H11	106.238	S5	C2	H8	109.628
S5	C2	H11	106.238	S5	C3	S6	116.032
S5	C3	H9	109.628	S5	C3	H12	106.238
S6	C1	H7	109.628	S6	C1	H10	106.238
S6	C3	H9	109.628	S6	C3	H12	106.238
H7	C1	H10	108.776	H8	C2	H11	108.776
H9	C3	H12	108.776

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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