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	hartrees
Energy at 0K	-1311.010929
Energy at 298.15K	-1311.018887
HF Energy	-1309.762839
Nuclear repulsion energy	454.140686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	2973	0.08
2	A₁	3113	2903	30.96
3	A₁	1473	1373	11.64
4	A₁	935	872	10.80
5	A₁	678	632	3.03
6	A₁	405	377	0.02
7	A₁	296	276	1.90
8	A₂	1221	1139	0.00
9	A₂	1139	1062	0.00
10	A₂	803	748	0.00
11	E	3188	2974	0.03
11	E	3188	2974	0.03
12	E	3120	2910	2.92
12	E	3120	2910	2.92
13	E	1458	1360	2.69
13	E	1458	1360	2.69
14	E	1273	1187	12.05
14	E	1273	1187	12.05
15	E	1223	1140	12.94
15	E	1223	1140	12.94
16	E	807	753	2.43
16	E	807	753	2.43
17	E	775	723	18.75
17	E	775	723	18.75
18	E	690	643	0.80
18	E	690	643	0.79
19	E	285	266	1.22
19	E	285	266	1.22
20	E	181	169	0.01
20	E	181	169	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.577	0.405
C2	1.366	-0.789	0.405
C3	-1.366	-0.789	0.405
S4	1.534	0.886	-0.254
S5	0.000	-1.772	-0.254
S6	-1.534	0.886	-0.254
H7	0.000	1.490	1.486
H8	1.291	-0.745	1.486
H9	-1.291	-0.745	1.486
H10	0.000	2.626	0.147
H11	2.275	-1.313	0.147
H12	-2.275	-1.313	0.147

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7321	2.7321	1.8075	3.4133	1.8075	1.0838	2.8682	2.8682	1.0802	3.6872	3.6872
C2	2.7321		2.7321	1.8075	1.8075	3.4133	2.8682	1.0838	2.8682	3.6872	1.0802	3.6872
C3	2.7321	2.7321		3.4133	1.8075	1.8075	2.8682	2.8682	1.0838	3.6872	3.6872	1.0802
S4	1.8075	1.8075	3.4133		3.0687	3.0687	2.3969	2.3969	3.6967	2.3548	2.3548	4.4164
S5	3.4133	1.8075	1.8075	3.0687		3.0687	3.6967	2.3969	2.3969	4.4164	2.3548	2.3548
S6	1.8075	3.4133	1.8075	3.0687	3.0687		2.3969	3.6967	2.3969	2.3548	4.4164	2.3548
H7	1.0838	2.8682	2.8682	2.3969	3.6967	2.3969		2.5811	2.5811	1.7554	3.8500	3.8500
H8	2.8682	1.0838	2.8682	2.3969	2.3969	3.6967	2.5811		2.5811	3.8500	1.7554	3.8500
H9	2.8682	2.8682	1.0838	3.6967	2.3969	2.3969	2.5811	2.5811		3.8500	3.8500	1.7554
H10	1.0802	3.6872	3.6872	2.3548	4.4164	2.3548	1.7554	3.8500	3.8500		4.5491	4.5491
H11	3.6872	1.0802	3.6872	2.3548	2.3548	4.4164	3.8500	1.7554	3.8500	4.5491		4.5491
H12	3.6872	3.6872	1.0802	4.4164	2.3548	2.3548	3.8500	3.8500	1.7554	4.5491	4.5491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.186	C1	S6	C3	98.186
C2	S5	C3	98.186	S4	C1	S6	116.184
S4	C1	H7	109.436	S4	C1	H10	106.532
S4	C2	S5	116.184	S4	C2	H8	109.436
S4	C2	H11	106.532	S5	C2	H8	109.436
S5	C2	H11	106.532	S5	C3	S6	116.184
S5	C3	H9	109.436	S5	C3	H12	106.532
S6	C1	H7	109.436	S6	C1	H10	106.532
S6	C3	H9	109.436	S6	C3	H12	106.532
H7	C1	H10	108.413	H8	C2	H11	108.413
H9	C3	H12	108.413

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

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

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