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	hartrees
Energy at 0K	-1310.517013
Energy at 298.15K	-1310.524955
HF Energy	-1309.613377
Nuclear repulsion energy	450.888988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3144	3144
2	A₁	3062	3062
3	A₁	1484	1484
4	A₁	951	951
5	A₁	674	674
6	A₁	412	412
7	A₁	305	305
8	A₂	1258	1258
9	A₂	1161	1161
10	A₂	786	786
11	E	3146	3146
11	E	3146	3146
12	E	3067	3067
12	E	3067	3067
13	E	1467	1467
13	E	1466	1466
14	E	1313	1313
14	E	1312	1312
15	E	1244	1244
15	E	1244	1244
16	E	825	825
16	E	825	825
17	E	767	767
17	E	767	767
18	E	683	683
18	E	683	683
19	E	289	289
19	E	289	289
20	E	188	188
20	E	186	186

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.583	0.408
C2	1.371	-0.792	0.408
C3	-1.371	-0.792	0.408
S4	1.546	0.893	-0.257
S5	0.000	-1.785	-0.257
S6	-1.546	0.893	-0.257
H7	0.000	1.497	1.503
H8	1.297	-0.749	1.503
H9	-1.297	-0.749	1.503
H10	0.000	2.650	0.156
H11	2.295	-1.325	0.156
H12	-2.295	-1.325	0.156

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7426	2.7426	1.8191	3.4336	1.8191	1.0986	2.8845	2.8845	1.0956	3.7132	3.7132
C2	2.7426		2.7426	1.8191	1.8191	3.4336	2.8845	1.0986	2.8845	3.7132	1.0956	3.7132
C3	2.7426	2.7426		3.4336	1.8191	1.8191	2.8845	2.8845	1.0986	3.7132	3.7132	1.0956
S4	1.8191	1.8191	3.4336		3.0921	3.0921	2.4192	2.4192	3.7246	2.3765	2.3765	4.4541
S5	3.4336	1.8191	1.8191	3.0921		3.0921	3.7246	2.4192	2.4192	4.4541	2.3765	2.3765
S6	1.8191	3.4336	1.8191	3.0921	3.0921		2.4192	3.7246	2.4192	2.3765	4.4541	2.3765
H7	1.0986	2.8845	2.8845	2.4192	3.7246	2.4192		2.5937	2.5937	1.7728	3.8789	3.8789
H8	2.8845	1.0986	2.8845	2.4192	2.4192	3.7246	2.5937		2.5937	3.8789	1.7728	3.8789
H9	2.8845	2.8845	1.0986	3.7246	2.4192	2.4192	2.5937	2.5937		3.8789	3.8789	1.7728
H10	1.0956	3.7132	3.7132	2.3765	4.4541	2.3765	1.7728	3.8789	3.8789		4.5894	4.5894
H11	3.7132	1.0956	3.7132	2.3765	2.3765	4.4541	3.8789	1.7728	3.8789	4.5894		4.5894
H12	3.7132	3.7132	1.0956	4.4541	2.3765	2.3765	3.8789	3.8789	1.7728	4.5894	4.5894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.851	C1	S6	C3	97.851
C2	S5	C3	97.851	S4	C1	S6	116.404
S4	C1	H7	109.536	S4	C1	H10	106.594
S4	C2	S5	116.404	S4	C2	H8	109.536
S4	C2	H11	106.594	S5	C2	H8	109.536
S5	C2	H11	106.594	S5	C3	S6	116.404
S5	C3	H9	109.536	S5	C3	H12	106.594
S6	C1	H7	109.536	S6	C1	H10	106.594
S6	C3	H9	109.536	S6	C3	H12	106.594
H7	C1	H10	107.787	H8	C2	H11	107.788
H9	C3	H12	107.788

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31G*

States and conformations

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