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	hartrees
Energy at 0K	-1311.877505
Energy at 298.15K	-1311.885367
HF Energy	-1311.607854
Nuclear repulsion energy	450.171500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3014	1.72
2	A₁	3092	2933	39.71
3	A₁	1487	1411	13.38
4	A₁	948	899	16.32
5	A₁	666	632	4.76
6	A₁	407	386	0.02
7	A₁	295	279	2.09
8	A₂	1247	1182	0.00
9	A₂	1154	1095	0.00
10	A₂	758	719	0.00
11	E	3180	3016	0.03
11	E	3180	3016	0.03
12	E	3098	2938	3.83
12	E	3098	2938	3.83
13	E	1471	1395	4.85
13	E	1471	1395	4.85
14	E	1304	1236	21.68
14	E	1304	1236	21.67
15	E	1241	1177	20.46
15	E	1241	1177	20.45
16	E	822	779	0.02
16	E	822	779	0.02
17	E	749	710	30.93
17	E	749	710	30.93
18	E	674	639	2.00
18	E	674	639	2.00
19	E	286	271	1.47
19	E	286	271	1.47
20	E	182	173	0.00
20	E	182	173	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.592	0.404
C2	1.378	-0.796	0.404
C3	-1.378	-0.796	0.404
S4	1.549	0.894	-0.254
S5	0.000	-1.789	-0.254
S6	-1.549	0.894	-0.254
H7	0.000	1.520	1.496
H8	1.316	-0.760	1.496
H9	-1.316	-0.760	1.496
H10	0.000	2.649	0.136
H11	2.294	-1.324	0.136
H12	-2.294	-1.324	0.136

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7566	2.7566	1.8216	3.4436	1.8216	1.0940	2.9076	2.9076	1.0909	3.7199	3.7199
C2	2.7566		2.7566	1.8216	1.8216	3.4436	2.9076	1.0940	2.9076	3.7199	1.0909	3.7199
C3	2.7566	2.7566		3.4436	1.8216	1.8216	2.9076	2.9076	1.0940	3.7199	3.7199	1.0909
S4	1.8216	1.8216	3.4436		3.0981	3.0981	2.4189	2.4189	3.7427	2.3728	2.3728	4.4548
S5	3.4436	1.8216	1.8216	3.0981		3.0981	3.7427	2.4189	2.4189	4.4548	2.3728	2.3728
S6	1.8216	3.4436	1.8216	3.0981	3.0981		2.4189	3.7427	2.4189	2.3728	4.4548	2.3728
H7	1.0940	2.9076	2.9076	2.4189	3.7427	2.4189		2.6327	2.6327	1.7671	3.8990	3.8990
H8	2.9076	1.0940	2.9076	2.4189	2.4189	3.7427	2.6327		2.6327	3.8990	1.7671	3.8990
H9	2.9076	2.9076	1.0940	3.7427	2.4189	2.4189	2.6327	2.6327		3.8990	3.8990	1.7671
H10	1.0909	3.7199	3.7199	2.3728	4.4548	2.3728	1.7671	3.8990	3.8990		4.5882	4.5882
H11	3.7199	1.0909	3.7199	2.3728	2.3728	4.4548	3.8990	1.7671	3.8990	4.5882		4.5882
H12	3.7199	3.7199	1.0909	4.4548	2.3728	2.3728	3.8990	3.8990	1.7671	4.5882	4.5882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.338	C1	S6	C3	98.338
C2	S5	C3	98.338	S4	C1	S6	116.505
S4	C1	H7	109.590	S4	C1	H10	106.401
S4	C2	S5	116.505	S4	C2	H8	109.590
S4	C2	H11	106.401	S5	C2	H8	109.590
S5	C2	H11	106.401	S5	C3	S6	116.505
S5	C3	H9	109.590	S5	C3	H12	106.401
S6	C1	H7	109.590	S6	C1	H10	106.401
S6	C3	H9	109.590	S6	C3	H12	106.401
H7	C1	H10	107.962	H8	C2	H11	107.962
H9	C3	H12	107.962

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

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