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	hartrees
Energy at 0K	-1310.435151
Energy at 298.15K	-1310.443181
HF Energy	-1309.626358
Nuclear repulsion energy	453.133776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3021	1.38
2	A₁	3117	2932	33.83
3	A₁	1455	1369	11.99
4	A₁	950	894	14.31
5	A₁	688	647	2.96
6	A₁	414	389	0.01
7	A₁	309	291	1.20
8	A₂	1262	1187	0.00
9	A₂	1153	1084	0.00
10	A₂	802	755	0.00
11	E	3214	3023	0.02
11	E	3214	3023	0.02
12	E	3124	2939	3.36
12	E	3124	2939	3.36
13	E	1440	1354	5.00
13	E	1440	1354	5.00
14	E	1319	1241	19.74
14	E	1319	1241	19.74
15	E	1238	1165	18.17
15	E	1238	1165	18.17
16	E	827	778	1.11
16	E	827	778	1.11
17	E	782	735	24.81
17	E	782	735	24.81
18	E	697	656	0.89
18	E	697	656	0.89
19	E	288	271	1.16
19	E	288	271	1.16
20	E	192	181	0.00
20	E	192	181	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.574	0.406
C2	1.363	-0.787	0.406
C3	-1.363	-0.787	0.406
S4	1.539	0.889	-0.256
S5	0.000	-1.777	-0.256
S6	-1.539	0.889	-0.256
H7	0.000	1.492	1.496
H8	1.293	-0.746	1.496
H9	-1.293	-0.746	1.496
H10	0.000	2.634	0.154
H11	2.281	-1.317	0.154
H12	-2.281	-1.317	0.154

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7262	2.7262	1.8101	3.4158	1.8101	1.0927	2.8707	2.8707	1.0892	3.6908	3.6908
C2	2.7262		2.7262	1.8101	1.8101	3.4158	2.8707	1.0927	2.8707	3.6908	1.0892	3.6908
C3	2.7262	2.7262		3.4158	1.8101	1.8101	2.8707	2.8707	1.0927	3.6908	3.6908	1.0892
S4	1.8101	1.8101	3.4158		3.0779	3.0779	2.4086	2.4086	3.7092	2.3625	2.3625	4.4296
S5	3.4158	1.8101	1.8101	3.0779		3.0779	3.7092	2.4086	2.4086	4.4296	2.3625	2.3625
S6	1.8101	3.4158	1.8101	3.0779	3.0779		2.4086	3.7092	2.4086	2.3625	4.4296	2.3625
H7	1.0927	2.8707	2.8707	2.4086	3.7092	2.4086		2.5850	2.5850	1.7615	3.8593	3.8593
H8	2.8707	1.0927	2.8707	2.4086	2.4086	3.7092	2.5850		2.5850	3.8593	1.7615	3.8593
H9	2.8707	2.8707	1.0927	3.7092	2.4086	2.4086	2.5850	2.5850		3.8593	3.8593	1.7615
H10	1.0892	3.6908	3.6908	2.3625	4.4296	2.3625	1.7615	3.8593	3.8593		4.5615	4.5615
H11	3.6908	1.0892	3.6908	2.3625	2.3625	4.4296	3.8593	1.7615	3.8593	4.5615		4.5615
H12	3.6908	3.6908	1.0892	4.4296	2.3625	2.3625	3.8593	3.8593	1.7615	4.5615	4.5615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.709	C1	S6	C3	97.709
C2	S5	C3	97.709	S4	C1	S6	116.464
S4	C1	H7	109.663	S4	C1	H10	106.479
S4	C2	S5	116.464	S4	C2	H8	109.663
S4	C2	H11	106.479	S5	C2	H8	109.663
S5	C2	H11	106.479	S5	C3	S6	116.464
S5	C3	H9	109.663	S5	C3	H12	106.479
S6	C1	H7	109.663	S6	C1	H10	106.479
S6	C3	H9	109.663	S6	C3	H12	106.479
H7	C1	H10	107.671	H8	C2	H11	107.671
H9	C3	H12	107.671

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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