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	hartrees
Energy at 0K	-1310.472796
Energy at 298.15K	-1310.480853
HF Energy	-1309.623604
Nuclear repulsion energy	453.735353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3014	1.99
2	A₁	3132	2927	35.54
3	A₁	1489	1391	14.18
4	A₁	955	893	15.86
5	A₁	691	646	4.41
6	A₁	417	389	0.09
7	A₁	310	289	1.61
8	A₂	1266	1183	0.00
9	A₂	1174	1097	0.00
10	A₂	807	754	0.00
11	E	3227	3016	0.00
11	E	3227	3016	0.00
12	E	3139	2933	2.56
12	E	3139	2933	2.56
13	E	1471	1374	4.62
13	E	1471	1374	4.62
14	E	1322	1235	21.42
14	E	1322	1235	21.42
15	E	1260	1178	18.93
15	E	1260	1178	18.93
16	E	829	774	0.84
16	E	829	774	0.84
17	E	786	735	23.81
17	E	786	735	23.81
18	E	701	655	1.00
18	E	701	655	1.00
19	E	292	273	1.14
19	E	292	273	1.14
20	E	192	179	0.01
20	E	192	179	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.570	0.406
C2	1.360	-0.785	0.406
C3	-1.360	-0.785	0.406
S4	1.538	0.888	-0.256
S5	0.000	-1.776	-0.256
S6	-1.538	0.888	-0.256
H7	0.000	1.481	1.493
H8	1.283	-0.741	1.493
H9	-1.283	-0.741	1.493
H10	0.000	2.630	0.161
H11	2.277	-1.315	0.161
H12	-2.277	-1.315	0.161

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7193	2.7193	1.8077	3.4106	1.8077	1.0907	2.8576	2.8576	1.0875	3.6835	3.6835
C2	2.7193		2.7193	1.8077	1.8077	3.4106	2.8576	1.0907	2.8576	3.6835	1.0875	3.6835
C3	2.7193	2.7193		3.4106	1.8077	1.8077	2.8576	2.8576	1.0907	3.6835	3.6835	1.0875
S4	1.8077	1.8077	3.4106		3.0760	3.0760	2.4029	2.4029	3.6966	2.3606	2.3606	4.4253
S5	3.4106	1.8077	1.8077	3.0760		3.0760	3.6966	2.4029	2.4029	4.4253	2.3606	2.3606
S6	1.8077	3.4106	1.8077	3.0760	3.0760		2.4029	3.6966	2.4029	2.3606	4.4253	2.3606
H7	1.0907	2.8576	2.8576	2.4029	3.6966	2.4029		2.5654	2.5654	1.7585	3.8441	3.8441
H8	2.8576	1.0907	2.8576	2.4029	2.4029	3.6966	2.5654		2.5654	3.8441	1.7585	3.8441
H9	2.8576	2.8576	1.0907	3.6966	2.4029	2.4029	2.5654	2.5654		3.8441	3.8441	1.7585
H10	1.0875	3.6835	3.6835	2.3606	4.4253	2.3606	1.7585	3.8441	3.8441		4.5547	4.5547
H11	3.6835	1.0875	3.6835	2.3606	2.3606	4.4253	3.8441	1.7585	3.8441	4.5547		4.5547
H12	3.6835	3.6835	1.0875	4.4253	2.3606	2.3606	3.8441	3.8441	1.7585	4.5547	4.5547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.551	C1	S6	C3	97.551
C2	S5	C3	97.551	S4	C1	S6	116.597
S4	C1	H7	109.502	S4	C1	H10	106.582
S4	C2	S5	116.597	S4	C2	H8	109.502
S4	C2	H11	106.582	S5	C2	H8	109.502
S5	C2	H11	106.582	S5	C3	S6	116.597
S5	C3	H9	109.502	S5	C3	H12	106.582
S6	C1	H7	109.502	S6	C1	H10	106.582
S6	C3	H9	109.502	S6	C3	H12	106.582
H7	C1	H10	107.665	H8	C2	H11	107.665
H9	C3	H12	107.665

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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