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	hartrees
Energy at 0K	-1295.507133
Energy at 298.15K	-1295.515140
HF Energy	-1295.265951
Nuclear repulsion energy	447.440295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3473	3028	6.45
2	A₁	3340	2913	23.30
3	A₁	1693	1476	1.29
4	A₁	1025	893	8.00
5	A₁	759	662	4.47
6	A₁	453	395	1.35
7	A₁	316	276	1.77
8	A₂	1390	1212	0.00
9	A₂	1303	1136	0.00
10	A₂	950	828	0.00
11	E	3472	3028	0.17
11	E	3472	3028	0.17
12	E	3344	2915	4.79
12	E	3344	2915	4.79
13	E	1689	1473	0.85
13	E	1689	1473	0.85
14	E	1451	1265	26.73
14	E	1451	1265	26.73
15	E	1366	1191	9.49
15	E	1366	1191	9.49
16	E	944	823	3.71
16	E	944	823	3.71
17	E	893	779	4.30
17	E	893	779	4.30
18	E	782	682	0.02
18	E	782	682	0.02
19	E	318	277	0.09
19	E	318	277	0.09
20	E	195	170	0.12
20	E	195	170	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.583	0.411
C2	1.371	-0.791	0.411
C3	-1.371	-0.791	0.411
S4	1.562	0.902	-0.261
S5	0.000	-1.804	-0.261
S6	-1.562	0.902	-0.261
H7	0.000	1.489	1.519
H8	1.290	-0.745	1.519
H9	-1.290	-0.745	1.519
H10	0.000	2.666	0.183
H11	2.309	-1.333	0.183
H12	-2.309	-1.333	0.183

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7414	2.7414	1.8320	3.4529	1.8320	1.1114	2.8822	2.8822	1.1072	3.7263	3.7263
C2	2.7414		2.7414	1.8320	1.8320	3.4529	2.8822	1.1114	2.8822	3.7263	1.1072	3.7263
C3	2.7414	2.7414		3.4529	1.8320	1.8320	2.8822	2.8822	1.1114	3.7263	3.7263	1.1072
S4	1.8320	1.8320	3.4529		3.1247	3.1247	2.4398	2.4398	3.7434	2.3978	2.3978	4.4921
S5	3.4529	1.8320	1.8320	3.1247		3.1247	3.7434	2.4398	2.4398	4.4921	2.3978	2.3978
S6	1.8320	3.4529	1.8320	3.1247	3.1247		2.4398	3.7434	2.4398	2.3978	4.4921	2.3978
H7	1.1114	2.8822	2.8822	2.4398	3.7434	2.4398		2.5796	2.5796	1.7806	3.8836	3.8836
H8	2.8822	1.1114	2.8822	2.4398	2.4398	3.7434	2.5796		2.5796	3.8836	1.7806	3.8836
H9	2.8822	2.8822	1.1114	3.7434	2.4398	2.4398	2.5796	2.5796		3.8836	3.8836	1.7806
H10	1.1072	3.7263	3.7263	2.3978	4.4921	2.3978	1.7806	3.8836	3.8836		4.6178	4.6178
H11	3.7263	1.1072	3.7263	2.3978	2.3978	4.4921	3.8836	1.7806	3.8836	4.6178		4.6178
H12	3.7263	3.7263	1.1072	4.4921	2.3978	2.3978	3.8836	3.8836	1.7806	4.6178	4.6178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	96.874	C1	S6	C3	96.874
C2	S5	C3	96.874	S4	C1	S6	117.044
S4	C1	H7	109.531	S4	C1	H10	106.724
S4	C2	S5	117.044	S4	C2	H8	109.531
S4	C2	H11	106.724	S5	C2	H8	109.531
S5	C2	H11	106.724	S5	C3	S6	117.044
S5	C3	H9	109.531	S5	C3	H12	106.724
S6	C1	H7	109.531	S6	C1	H10	106.724
S6	C3	H9	109.531	S6	C3	H12	106.724
H7	C1	H10	106.748	H8	C2	H11	106.748
H9	C3	H12	106.748

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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