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	hartrees
Energy at 0K	-1310.955501
Energy at 298.15K	-1310.963441
HF Energy	-1309.762054
Nuclear repulsion energy	455.746455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3001	0.15
2	A₁	3080	2924	30.64
3	A₁	1449	1376	14.34
4	A₁	919	872	10.14
5	A₁	680	645	3.02
6	A₁	400	380	0.03
7	A₁	304	289	1.45
8	A₂	1198	1137	0.00
9	A₂	1129	1072	0.00
10	A₂	792	752	0.00
11	E	3163	3003	0.04
11	E	3163	3003	0.04
12	E	3089	2933	2.79
12	E	3089	2933	2.79
13	E	1434	1361	2.89
13	E	1434	1361	2.89
14	E	1252	1189	10.80
14	E	1252	1189	10.80
15	E	1210	1149	14.97
15	E	1210	1149	14.97
16	E	798	758	3.61
16	E	798	758	3.61
17	E	773	734	22.65
17	E	773	734	22.65
18	E	692	657	1.26
18	E	692	657	1.26
19	E	280	266	1.41
19	E	280	266	1.41
20	E	185	176	0.03
20	E	185	176	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.563	0.410
C2	1.354	-0.782	0.410
C3	-1.354	-0.782	0.410
S4	1.529	0.883	-0.258
S5	0.000	-1.766	-0.258
S6	-1.529	0.883	-0.258
H7	0.000	1.456	1.492
H8	1.261	-0.728	1.492
H9	-1.261	-0.728	1.492
H10	0.000	2.620	0.171
H11	2.269	-1.310	0.171
H12	-2.269	-1.310	0.171

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7077	2.7077	1.8018	3.3951	1.8018	1.0873	2.8305	2.8305	1.0835	3.6691	3.6691
C2	2.7077		2.7077	1.8018	1.8018	3.3951	2.8305	1.0873	2.8305	3.6691	1.0835	3.6691
C3	2.7077	2.7077		3.3951	1.8018	1.8018	2.8305	2.8305	1.0873	3.6691	3.6691	1.0835
S4	1.8018	1.8018	3.3951		3.0580	3.0580	2.3932	2.3932	3.6662	2.3537	2.3537	4.4066
S5	3.3951	1.8018	1.8018	3.0580		3.0580	3.6662	2.3932	2.3932	4.4066	2.3537	2.3537
S6	1.8018	3.3951	1.8018	3.0580	3.0580		2.3932	3.6662	2.3932	2.3537	4.4066	2.3537
H7	1.0873	2.8305	2.8305	2.3932	3.6662	2.3932		2.5223	2.5223	1.7605	3.8140	3.8140
H8	2.8305	1.0873	2.8305	2.3932	2.3932	3.6662	2.5223		2.5223	3.8140	1.7605	3.8140
H9	2.8305	2.8305	1.0873	3.6662	2.3932	2.3932	2.5223	2.5223		3.8140	3.8140	1.7605
H10	1.0835	3.6691	3.6691	2.3537	4.4066	2.3537	1.7605	3.8140	3.8140		4.5382	4.5382
H11	3.6691	1.0835	3.6691	2.3537	2.3537	4.4066	3.8140	1.7605	3.8140	4.5382		4.5382
H12	3.6691	3.6691	1.0835	4.4066	2.3537	2.3537	3.8140	3.8140	1.7605	4.5382	4.5382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.420	C1	S6	C3	97.420
C2	S5	C3	97.420	S4	C1	S6	116.117
S4	C1	H7	109.359	S4	C1	H10	106.661
S4	C2	S5	116.117	S4	C2	H8	109.359
S4	C2	H11	106.661	S5	C2	H8	109.359
S5	C2	H11	106.661	S5	C3	S6	116.117
S5	C3	H9	109.359	S5	C3	H12	106.661
S6	C1	H7	109.359	S6	C1	H10	106.661
S6	C3	H9	109.359	S6	C3	H12	106.661
H7	C1	H10	108.388	H8	C2	H11	108.388
H9	C3	H12	108.388

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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