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	hartrees
Energy at 0K	-593.077333
Energy at 298.15K	-593.089649
HF Energy	-592.563563
Nuclear repulsion energy	305.383221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3020	20.51
2	A	3106	2971	69.44
3	A	3090	2957	29.84
4	A	3082	2949	14.90
5	A	3044	2912	20.82
6	A	3033	2902	20.74
7	A	1565	1498	4.40
8	A	1559	1492	8.52
9	A	1538	1471	9.37
10	A	1437	1375	1.38
11	A	1389	1329	6.91
12	A	1308	1251	3.05
13	A	1281	1226	3.22
14	A	1124	1076	2.30
15	A	1068	1022	0.77
16	A	1008	965	10.17
17	A	867	830	4.65
18	A	825	789	1.32
19	A	621	595	3.47
20	A	509	487	0.57
21	A	357	342	0.39
22	A	339	324	0.15
23	A	171	163	2.10
24	A	3157	3021	9.23
25	A	3099	2965	26.88
26	A	3084	2951	9.45
27	A	3043	2912	43.77
28	A	1550	1483	2.17
29	A	1533	1467	0.98
30	A	1435	1373	0.00
31	A	1424	1362	0.52
32	A	1358	1299	22.89
33	A	1331	1273	1.04
34	A	1205	1153	0.02
35	A	1152	1102	0.86
36	A	1119	1070	0.20
37	A	969	927	0.01
38	A	945	904	5.56
39	A	827	791	0.19
40	A	653	625	1.25
41	A	398	381	0.26
42	A	236	226	0.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.564	0.000
C2	0.061	-1.748	0.000
C3	0.392	-0.962	1.294
C4	0.392	-0.962	-1.294
C5	-0.395	0.355	1.418
C6	-0.395	0.355	-1.418
H7	0.620	-2.697	0.000
H8	-1.012	-2.009	0.000
H9	-1.478	0.168	1.416
H10	-1.478	0.168	-1.416
H11	0.165	-1.592	2.171
H12	0.165	-1.592	-2.171
H13	1.472	-0.743	1.321
H14	1.472	-0.743	-1.321
H15	-0.132	0.894	-2.336
H16	-0.132	0.894	2.336

	S1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
S1		3.3126	2.8660	2.8660	1.9052	1.9052	4.3060	3.7138	2.4777	2.4777	3.8344	3.8344	3.0392	3.0392	2.4336	2.4336
C2	3.3126		1.5499	1.5499	2.5764	2.5764	1.1012	1.1044	2.8363	2.8363	2.1788	2.1788	2.1781	2.1781	3.5318	3.5318
C3	2.8660	1.5499		2.5889	1.5392	3.1162	2.1762	2.1779	2.1887	3.4819	1.1030	3.5294	1.1015	2.8381	4.1111	2.1924
C4	2.8660	1.5499	2.5889		3.1162	1.5392	2.1762	2.1779	3.4819	2.1887	3.5294	1.1030	2.8381	1.1015	2.1924	4.1111
C5	1.9052	2.5764	1.5392	3.1162		2.8358	3.5144	2.8245	1.0988	3.0398	2.1609	4.1208	2.1676	3.4917	3.8014	1.0967
C6	1.9052	2.5764	3.1162	1.5392	2.8358		3.5144	2.8245	3.0398	1.0988	4.1208	2.1609	3.4917	2.1676	1.0967	3.8014
H7	4.3060	1.1012	2.1762	2.1762	3.5144	3.5144		1.7705	3.8226	3.8226	2.4779	2.4779	2.5076	2.5076	4.3494	4.3494
H8	3.7138	1.1044	2.1779	2.1779	2.8245	2.8245	1.7705		2.6387	2.6387	2.5040	2.5040	3.0848	3.0848	3.8287	3.8287
H9	2.4777	2.8363	2.1887	3.4819	1.0988	3.0398	3.8226	2.6387		2.8327	2.5228	4.3200	3.0884	4.1260	4.0517	1.7841
H10	2.4777	2.8363	3.4819	2.1887	3.0398	1.0988	3.8226	2.6387	2.8327		4.3200	2.5228	4.1260	3.0884	1.7841	4.0517
H11	3.8344	2.1788	1.1030	3.5294	2.1609	4.1208	2.4779	2.5040	2.5228	4.3200		4.3415	1.7751	3.8240	5.1555	2.5095
H12	3.8344	2.1788	3.5294	1.1030	4.1208	2.1609	2.4779	2.5040	4.3200	2.5228	4.3415		3.8240	1.7751	2.5095	5.1555
H13	3.0392	2.1781	1.1015	2.8381	2.1676	3.4917	2.5076	3.0848	3.0884	4.1260	1.7751	3.8240		2.6425	4.3160	2.5067
H14	3.0392	2.1781	2.8381	1.1015	3.4917	2.1676	2.5076	3.0848	4.1260	3.0884	3.8240	1.7751	2.6425		2.5067	4.3160
H15	2.4336	3.5318	4.1111	2.1924	3.8014	1.0967	4.3494	3.8287	4.0517	1.7841	5.1555	2.5095	4.3160	2.5067		4.6716
H16	2.4336	3.5318	2.1924	4.1111	1.0967	3.8014	4.3494	3.8287	1.7841	4.0517	2.5095	5.1555	2.5067	4.3160	4.6716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C5	C3	112.185	S1	C5	H9	108.114
S1	C5	H16	105.118	S1	C6	C4	112.185
S1	C6	H10	108.114	S1	C6	H15	105.118
C2	C3	C5	113.029	C2	C3	H11	109.270
C2	C3	H13	109.296	C2	C4	C6	113.029
C2	C4	H12	109.270	C2	C4	H14	109.296
C3	C2	C4	113.270	C3	C2	H7	109.172
C3	C2	H8	109.120	C3	C5	H9	111.024
C3	C5	H16	111.451	C4	C2	H7	109.172
C4	C2	H8	109.120	C4	C6	H10	111.024
C4	C6	H15	111.451	C5	S1	C6	96.185
C5	C3	H11	108.610	C5	C3	H13	109.210
C6	C4	H12	108.610	C6	C4	H14	109.210
H7	C2	H8	106.781	H9	C5	H16	108.700
H10	C6	H15	108.700	H11	C3	H13	107.260
H12	C4	H14	107.260

All results from a given calculation for C₅H₁₀S (2H-Thiopyran, tetrahydro-)

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 C5H10S (2H-Thiopyran, tetrahydro-)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₅H₁₀S (2H-Thiopyran, tetrahydro-)