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	hartrees
Energy at 0K	-1304.120826
Energy at 298.15K	-1304.128769
HF Energy	-1303.435132
Nuclear repulsion energy	450.263466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	2992	1.30
2	A₁	3080	2920	31.38
3	A₁	1533	1454	19.93
4	A₁	969	919	17.67
5	A₁	659	625	5.75
6	A₁	414	393	0.04
7	A₁	305	289	2.44
8	A₂	1286	1219	0.00
9	A₂	1196	1134	0.00
10	A₂	743	704	0.00
11	E	3158	2994	0.10
11	E	3158	2994	0.10
12	E	3087	2926	2.01
12	E	3087	2926	2.01
13	E	1519	1440	7.23
13	E	1519	1440	7.23
14	E	1331	1262	12.13
14	E	1331	1262	12.13
15	E	1276	1210	18.02
15	E	1276	1210	18.02
16	E	851	807	0.19
16	E	851	807	0.19
17	E	735	697	28.88
17	E	735	697	28.88
18	E	665	630	2.74
18	E	665	630	2.74
19	E	290	275	1.39
19	E	290	275	1.39
20	E	187	177	0.01
20	E	187	177	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.588	0.417
C2	1.376	-0.794	0.417
C3	-1.376	-0.794	0.417
S4	1.545	0.892	-0.261
S5	0.000	-1.784	-0.261
S6	-1.545	0.892	-0.261
H7	0.000	1.489	1.509
H8	1.289	-0.744	1.509
H9	-1.289	-0.744	1.509
H10	0.000	2.653	0.167
H11	2.298	-1.327	0.167
H12	-2.298	-1.327	0.167

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7511	2.7511	1.8252	3.4394	1.8252	1.0960	2.8802	2.8802	1.0940	3.7202	3.7202
C2	2.7511		2.7511	1.8252	1.8252	3.4394	2.8802	1.0960	2.8802	3.7202	1.0940	3.7202
C3	2.7511	2.7511		3.4394	1.8252	1.8252	2.8802	2.8802	1.0960	3.7202	3.7202	1.0940
S4	1.8252	1.8252	3.4394		3.0891	3.0891	2.4239	2.4239	3.7204	2.3818	2.3818	4.4576
S5	3.4394	1.8252	1.8252	3.0891		3.0891	3.7204	2.4239	2.4239	4.4576	2.3818	2.3818
S6	1.8252	3.4394	1.8252	3.0891	3.0891		2.4239	3.7204	2.4239	2.3818	4.4576	2.3818
H7	1.0960	2.8802	2.8802	2.4239	3.7204	2.4239		2.5787	2.5787	1.7763	3.8738	3.8738
H8	2.8802	1.0960	2.8802	2.4239	2.4239	3.7204	2.5787		2.5787	3.8738	1.7763	3.8738
H9	2.8802	2.8802	1.0960	3.7204	2.4239	2.4239	2.5787	2.5787		3.8738	3.8738	1.7763
H10	1.0940	3.7202	3.7202	2.3818	4.4576	2.3818	1.7763	3.8738	3.8738		4.5958	4.5958
H11	3.7202	1.0940	3.7202	2.3818	2.3818	4.4576	3.8738	1.7763	3.8738	4.5958		4.5958
H12	3.7202	3.7202	1.0940	4.4576	2.3818	2.3818	3.8738	3.8738	1.7763	4.5958	4.5958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.811	C1	S6	C3	97.811
C2	S5	C3	97.811	S4	C1	S6	115.611
S4	C1	H7	109.609	S4	C1	H10	106.657
S4	C2	S5	115.611	S4	C2	H8	109.609
S4	C2	H11	106.657	S5	C2	H8	109.609
S5	C2	H11	106.657	S5	C3	S6	115.611
S5	C3	H9	109.609	S5	C3	H12	106.657
S6	C1	H7	109.609	S6	C1	H10	106.657
S6	C3	H9	109.609	S6	C3	H12	106.657
H7	C1	H10	108.411	H8	C2	H11	108.411
H9	C3	H12	108.411

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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