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	hartrees
Energy at 0K	-1310.423823
Energy at 298.15K	-1310.431870
HF Energy	-1309.623604
Nuclear repulsion energy	453.139825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3018	2.03
2	A₁	3130	2931	35.81
3	A₁	1487	1393	13.69
4	A₁	955	894	15.56
5	A₁	690	647	4.55
6	A₁	416	389	0.10
7	A₁	308	289	1.63
8	A₂	1265	1185	0.00
9	A₂	1173	1098	0.00
10	A₂	805	754	0.00
11	E	3224	3019	0.01
11	E	3224	3019	0.01
12	E	3137	2937	2.65
12	E	3137	2937	2.65
13	E	1469	1376	4.39
13	E	1469	1376	4.39
14	E	1321	1237	22.09
14	E	1321	1237	22.09
15	E	1259	1179	18.72
15	E	1259	1179	18.72
16	E	828	776	0.82
16	E	828	776	0.82
17	E	785	735	24.26
17	E	785	735	24.26
18	E	700	656	0.97
18	E	700	656	0.97
19	E	292	273	1.15
19	E	292	273	1.15
20	E	191	179	0.00
20	E	191	179	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.573	0.406
C2	1.362	-0.786	0.406
C3	-1.362	-0.786	0.406
S4	1.540	0.889	-0.256
S5	0.000	-1.778	-0.256
S6	-1.540	0.889	-0.256
H7	0.000	1.485	1.494
H8	1.286	-0.742	1.494
H9	-1.286	-0.742	1.494
H10	0.000	2.633	0.160
H11	2.280	-1.316	0.160
H12	-2.280	-1.316	0.160

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7238	2.7238	1.8101	3.4155	1.8101	1.0917	2.8628	2.8628	1.0885	3.6887	3.6887
C2	2.7238		2.7238	1.8101	1.8101	3.4155	2.8628	1.0917	2.8628	3.6887	1.0885	3.6887
C3	2.7238	2.7238		3.4155	1.8101	1.8101	2.8628	2.8628	1.0917	3.6887	3.6887	1.0885
S4	1.8101	1.8101	3.4155		3.0798	3.0798	2.4059	2.4059	3.7024	2.3633	2.3633	4.4307
S5	3.4155	1.8101	1.8101	3.0798		3.0798	3.7024	2.4059	2.4059	4.4307	2.3633	2.3633
S6	1.8101	3.4155	1.8101	3.0798	3.0798		2.4059	3.7024	2.4059	2.3633	4.4307	2.3633
H7	1.0917	2.8628	2.8628	2.4059	3.7024	2.4059		2.5712	2.5712	1.7604	3.8503	3.8503
H8	2.8628	1.0917	2.8628	2.4059	2.4059	3.7024	2.5712		2.5712	3.8503	1.7604	3.8503
H9	2.8628	2.8628	1.0917	3.7024	2.4059	2.4059	2.5712	2.5712		3.8503	3.8503	1.7604
H10	1.0885	3.6887	3.6887	2.3633	4.4307	2.3633	1.7604	3.8503	3.8503		4.5604	4.5604
H11	3.6887	1.0885	3.6887	2.3633	2.3633	4.4307	3.8503	1.7604	3.8503	4.5604		4.5604
H12	3.6887	3.6887	1.0885	4.4307	2.3633	2.3633	3.8503	3.8503	1.7604	4.5604	4.5604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.594	C1	S6	C3	97.594
C2	S5	C3	97.594	S4	C1	S6	116.580
S4	C1	H7	109.510	S4	C1	H10	106.570
S4	C2	S5	116.580	S4	C2	H8	109.510
S4	C2	H11	106.570	S5	C2	H8	109.510
S5	C2	H11	106.570	S5	C3	S6	116.580
S5	C3	H9	109.510	S5	C3	H12	106.570
S6	C1	H7	109.510	S6	C1	H10	106.570
S6	C3	H9	109.510	S6	C3	H12	106.570
H7	C1	H10	107.693	H8	C2	H11	107.693
H9	C3	H12	107.693

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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