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	hartrees
Energy at 0K	-1310.926754
Energy at 298.15K	-1310.934798
HF Energy	-1309.701591
Nuclear repulsion energy	453.850453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3000	2.00
2	A₁	3082	2919	41.74
3	A₁	1470	1392	19.86
4	A₁	950	900	25.66
5	A₁	687	650	2.37
6	A₁	415	393	0.14
7	A₁	316	299	1.31
8	A₂	1266	1199	0.00
9	A₂	1171	1109	0.00
10	A₂	795	753	0.00
11	E	3170	3002	0.00
11	E	3170	3002	0.00
12	E	3088	2925	2.90
12	E	3088	2925	2.90
13	E	1450	1373	7.62
13	E	1450	1373	7.62
14	E	1322	1252	15.52
14	E	1322	1252	15.52
15	E	1259	1192	16.68
15	E	1259	1192	16.68
16	E	821	778	1.41
16	E	821	778	1.41
17	E	777	736	28.56
17	E	777	736	28.56
18	E	695	658	1.48
18	E	695	658	1.48
19	E	288	273	1.19
19	E	288	273	1.19
20	E	195	185	0.01
20	E	195	185	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.568	0.408
C2	1.358	-0.784	0.408
C3	-1.358	-0.784	0.408
S4	1.537	0.887	-0.257
S5	0.000	-1.774	-0.257
S6	-1.537	0.887	-0.257
H7	0.000	1.478	1.499
H8	1.280	-0.739	1.499
H9	-1.280	-0.739	1.499
H10	0.000	2.631	0.164
H11	2.279	-1.316	0.164
H12	-2.279	-1.316	0.164

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7153	2.7153	1.8075	3.4076	1.8075	1.0941	2.8549	2.8549	1.0912	3.6831	3.6831
C2	2.7153		2.7153	1.8075	1.8075	3.4076	2.8549	1.0941	2.8549	3.6831	1.0912	3.6831
C3	2.7153	2.7153		3.4076	1.8075	1.8075	2.8549	2.8549	1.0941	3.6831	3.6831	1.0912
S4	1.8075	1.8075	3.4076		3.0731	3.0731	2.4070	2.4070	3.6964	2.3622	2.3622	4.4255
S5	3.4076	1.8075	1.8075	3.0731		3.0731	3.6964	2.4070	2.4070	4.4255	2.3622	2.3622
S6	1.8075	3.4076	1.8075	3.0731	3.0731		2.4070	3.6964	2.4070	2.3622	4.4255	2.3622
H7	1.0941	2.8549	2.8549	2.4070	3.6964	2.4070		2.5607	2.5607	1.7638	3.8446	3.8446
H8	2.8549	1.0941	2.8549	2.4070	2.4070	3.6964	2.5607		2.5607	3.8446	1.7638	3.8446
H9	2.8549	2.8549	1.0941	3.6964	2.4070	2.4070	2.5607	2.5607		3.8446	3.8446	1.7638
H10	1.0912	3.6831	3.6831	2.3622	4.4255	2.3622	1.7638	3.8446	3.8446		4.5574	4.5574
H11	3.6831	1.0912	3.6831	2.3622	2.3622	4.4255	3.8446	1.7638	3.8446	4.5574		4.5574
H12	3.6831	3.6831	1.0912	4.4255	2.3622	2.3622	3.8446	3.8446	1.7638	4.5574	4.5574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.378	C1	S6	C3	97.378
C2	S5	C3	97.378	S4	C1	S6	116.449
S4	C1	H7	109.646	S4	C1	H10	106.527
S4	C2	S5	116.449	S4	C2	H8	109.646
S4	C2	H11	106.527	S5	C2	H8	109.646
S5	C2	H11	106.527	S5	C3	S6	116.449
S5	C3	H9	109.646	S5	C3	H12	106.527
S6	C1	H7	109.646	S6	C1	H10	106.527
S6	C3	H9	109.646	S6	C3	H12	106.527
H7	C1	H10	107.626	H8	C2	H11	107.626
H9	C3	H12	107.626

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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