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	hartrees
Energy at 0K	-1310.515642
Energy at 298.15K	-1310.523587
HF Energy	-1309.613359
Nuclear repulsion energy	451.062723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3148	3027
2	A₁	3063	2945
3	A₁	1484	1427
4	A₁	950	913
5	A₁	675	649
6	A₁	411	396
7	A₁	305	294
8	A₂	1259	1210
9	A₂	1162	1118
10	A₂	787	757
11	E	3150	3029
11	E	3150	3029
12	E	3068	2951
12	E	3068	2951
13	E	1467	1410
13	E	1466	1410
14	E	1314	1263
14	E	1313	1263
15	E	1246	1198
15	E	1246	1198
16	E	825	793
16	E	825	793
17	E	769	739
17	E	769	739
18	E	684	658
18	E	684	658
19	E	288	277
19	E	288	277
20	E	188	181
20	E	186	179

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.582	0.408
C2	1.370	-0.791	0.408
C3	-1.370	-0.791	0.408
S4	1.546	0.892	-0.257
S5	0.000	-1.785	-0.257
S6	-1.546	0.892	-0.257
H7	0.000	1.495	1.503
H8	1.295	-0.748	1.503
H9	-1.295	-0.748	1.503
H10	0.000	2.649	0.157
H11	2.294	-1.324	0.157
H12	-2.294	-1.324	0.157

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7403	2.7403	1.8183	3.4318	1.8183	1.0988	2.8818	2.8818	1.0958	3.7111	3.7111
C2	2.7403		2.7403	1.8183	1.8183	3.4318	2.8818	1.0988	2.8818	3.7111	1.0958	3.7111
C3	2.7403	2.7403		3.4318	1.8183	1.8183	2.8818	2.8818	1.0988	3.7111	3.7111	1.0958
S4	1.8183	1.8183	3.4318		3.0913	3.0913	2.4185	2.4185	3.7223	2.3759	2.3759	4.4528
S5	3.4318	1.8183	1.8183	3.0913		3.0913	3.7223	2.4185	2.4185	4.4528	2.3759	2.3759
S6	1.8183	3.4318	1.8183	3.0913	3.0913		2.4185	3.7223	2.4185	2.3759	4.4528	2.3759
H7	1.0988	2.8818	2.8818	2.4185	3.7223	2.4185		2.5900	2.5900	1.7727	3.8762	3.8762
H8	2.8818	1.0988	2.8818	2.4185	2.4185	3.7223	2.5900		2.5900	3.8762	1.7727	3.8762
H9	2.8818	2.8818	1.0988	3.7223	2.4185	2.4185	2.5900	2.5900		3.8762	3.8762	1.7727
H10	1.0958	3.7111	3.7111	2.3759	4.4528	2.3759	1.7727	3.8762	3.8762		4.5878	4.5878
H11	3.7111	1.0958	3.7111	2.3759	2.3759	4.4528	3.8762	1.7727	3.8762	4.5878		4.5878
H12	3.7111	3.7111	1.0958	4.4528	2.3759	2.3759	3.8762	3.8762	1.7727	4.5878	4.5878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.796	C1	S6	C3	97.796
C2	S5	C3	97.796	S4	C1	S6	116.439
S4	C1	H7	109.529	S4	C1	H10	106.599
S4	C2	S5	116.439	S4	C2	H8	109.529
S4	C2	H11	106.599	S5	C2	H8	109.529
S5	C2	H11	106.599	S5	C3	S6	116.439
S5	C3	H9	109.529	S5	C3	H12	106.599
S6	C1	H7	109.529	S6	C1	H10	106.599
S6	C3	H9	109.529	S6	C3	H12	106.599
H7	C1	H10	107.755	H8	C2	H11	107.755
H9	C3	H12	107.755

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

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

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