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	hartrees
Energy at 0K	-1310.665416
Energy at 298.15K	-1310.673139
HF Energy	-1309.688895
Nuclear repulsion energy	447.378865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3148	3075
2	A₁	3063	2992
3	A₁	1484	1450
4	A₁	950	928
5	A₁	674	659
6	A₁	410	401
7	A₁	304	297
8	A₂	1258	1229
9	A₂	1162	1135
10	A₂	785	767
11	E	3150	3077
11	E	3150	3077
12	E	3068	2998
12	E	3068	2997
13	E	1467	1433
13	E	1466	1432
14	E	1313	1283
14	E	1313	1283
15	E	1246	1217
15	E	1245	1216
16	E	825	806
16	E	825	806
17	E	767	750
17	E	767	749
18	E	683	668
18	E	683	667
19	E	288	281
19	E	287	281
20	E	188	183
20	E	185	181

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.594	0.419
C2	1.381	-0.797	0.419
C3	-1.381	-0.797	0.419
S4	1.557	0.899	-0.263
S5	0.000	-1.798	-0.263
S6	-1.557	0.899	-0.263
H7	0.000	1.483	1.520
H8	1.284	-0.741	1.520
H9	-1.284	-0.741	1.520
H10	0.000	2.670	0.171
H11	2.312	-1.335	0.171
H12	-2.312	-1.335	0.171

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7614	2.7614	1.8362	3.4596	1.8362	1.1067	2.8837	2.8837	1.1035	3.7398	3.7398
C2	2.7614		2.7614	1.8362	1.8362	3.4596	2.8837	1.1067	2.8837	3.7398	1.1035	3.7398
C3	2.7614	2.7614		3.4596	1.8362	1.8362	2.8837	2.8837	1.1067	3.7398	3.7398	1.1035
S4	1.8362	1.8362	3.4596		3.1134	3.1134	2.4376	2.4376	3.7332	2.3973	2.3973	4.4881
S5	3.4596	1.8362	1.8362	3.1134		3.1134	3.7332	2.4376	2.4376	4.4881	2.3973	2.3973
S6	1.8362	3.4596	1.8362	3.1134	3.1134		2.4376	3.7332	2.4376	2.3973	4.4881	2.3973
H7	1.1067	2.8837	2.8837	2.4376	3.7332	2.4376		2.5679	2.5679	1.7970	3.8862	3.8862
H8	2.8837	1.1067	2.8837	2.4376	2.4376	3.7332	2.5679		2.5679	3.8862	1.7970	3.8862
H9	2.8837	2.8837	1.1067	3.7332	2.4376	2.4376	2.5679	2.5679		3.8862	3.8862	1.7970
H10	1.1035	3.7398	3.7398	2.3973	4.4881	2.3973	1.7970	3.8862	3.8862		4.6238	4.6238
H11	3.7398	1.1035	3.7398	2.3973	2.3973	4.4881	3.8862	1.7970	3.8862	4.6238		4.6238
H12	3.7398	3.7398	1.1035	4.4881	2.3973	2.3973	3.8862	3.8862	1.7970	4.6238	4.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.517	C1	S6	C3	97.517
C2	S5	C3	97.517	S4	C1	S6	115.942
S4	C1	H7	109.332	S4	C1	H10	106.597
S4	C2	S5	115.942	S4	C2	H8	109.332
S4	C2	H11	106.597	S5	C2	H8	109.332
S5	C2	H11	106.597	S5	C3	S6	115.942
S5	C3	H9	109.332	S5	C3	H12	106.597
S6	C1	H7	109.332	S6	C1	H10	106.597
S6	C3	H9	109.332	S6	C3	H12	106.597
H7	C1	H10	108.789	H8	C2	H11	108.789
H9	C3	H12	108.789

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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