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	hartrees
Energy at 0K	-1310.858854
Energy at 298.15K	-1310.866782
HF Energy	-1309.762554
Nuclear repulsion energy	452.611829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	2970	1.92
2	A₁	3075	2894	32.67
3	A₁	1458	1372	10.33
4	A₁	932	878	10.05
5	A₁	671	631	3.23
6	A₁	403	380	0.02
7	A₁	297	279	1.83
8	A₂	1213	1142	0.00
9	A₂	1130	1064	0.00
10	A₂	795	749	0.00
11	E	3156	2971	0.09
11	E	3156	2971	0.09
12	E	3080	2899	4.32
12	E	3080	2899	4.32
13	E	1444	1359	2.11
13	E	1444	1359	2.11
14	E	1268	1193	12.91
14	E	1268	1193	12.91
15	E	1213	1142	13.38
15	E	1213	1142	13.38
16	E	808	760	1.58
16	E	808	760	1.58
17	E	770	725	20.12
17	E	770	725	20.12
18	E	684	643	0.69
18	E	683	643	0.69
19	E	282	266	1.21
19	E	282	266	1.21
20	E	181	171	0.00
20	E	181	171	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.583	0.406
C2	1.371	-0.792	0.406
C3	-1.371	-0.792	0.406
S4	1.539	0.888	-0.255
S5	0.000	-1.777	-0.255
S6	-1.539	0.888	-0.255
H7	0.000	1.502	1.493
H8	1.301	-0.751	1.493
H9	-1.301	-0.751	1.493
H10	0.000	2.638	0.142
H11	2.285	-1.319	0.142
H12	-2.285	-1.319	0.142

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7421	2.7421	1.8130	3.4243	1.8130	1.0900	2.8849	2.8849	1.0873	3.7029	3.7029
C2	2.7421		2.7421	1.8130	1.8130	3.4243	2.8849	1.0900	2.8849	3.7029	1.0873	3.7029
C3	2.7421	2.7421		3.4243	1.8130	1.8130	2.8849	2.8849	1.0900	3.7029	3.7029	1.0873
S4	1.8130	1.8130	3.4243		3.0774	3.0774	2.4081	2.4081	3.7156	2.3635	2.3635	4.4326
S5	3.4243	1.8130	1.8130	3.0774		3.0774	3.7156	2.4081	2.4081	4.4326	2.3635	2.3635
S6	1.8130	3.4243	1.8130	3.0774	3.0774		2.4081	3.7156	2.4081	2.3635	4.4326	2.3635
H7	1.0900	2.8849	2.8849	2.4081	3.7156	2.4081		2.6018	2.6018	1.7649	3.8734	3.8734
H8	2.8849	1.0900	2.8849	2.4081	2.4081	3.7156	2.6018		2.6018	3.8734	1.7649	3.8734
H9	2.8849	2.8849	1.0900	3.7156	2.4081	2.4081	2.6018	2.6018		3.8734	3.8734	1.7649
H10	1.0873	3.7029	3.7029	2.3635	4.4326	2.3635	1.7649	3.8734	3.8734		4.5691	4.5691
H11	3.7029	1.0873	3.7029	2.3635	2.3635	4.4326	3.8734	1.7649	3.8734	4.5691		4.5691
H12	3.7029	3.7029	1.0873	4.4326	2.3635	2.3635	3.8734	3.8734	1.7649	4.5691	4.5691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.265	C1	S6	C3	98.265
C2	S5	C3	98.265	S4	C1	S6	116.145
S4	C1	H7	109.571	S4	C1	H10	106.459
S4	C2	S5	116.145	S4	C2	H8	109.571
S4	C2	H11	106.459	S5	C2	H8	109.571
S5	C2	H11	106.459	S5	C3	S6	116.145
S5	C3	H9	109.571	S5	C3	H12	106.459
S6	C1	H7	109.571	S6	C1	H10	106.459
S6	C3	H9	109.571	S6	C3	H12	106.459
H7	C1	H10	108.302	H8	C2	H11	108.302
H9	C3	H12	108.302

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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