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	hartrees
Energy at 0K	-593.077584
Energy at 298.15K	-593.089760
HF Energy	-592.575249
Nuclear repulsion energy	303.861204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3132	3023	30.81
2	A	3092	2985	76.86
3	A	3081	2974	41.41
4	A	3050	2944	24.76
5	A	3025	2920	32.38
6	A	3015	2910	30.56
7	A	1519	1466	7.29
8	A	1514	1461	9.68
9	A	1491	1439	9.24
10	A	1419	1370	0.30
11	A	1371	1323	3.25
12	A	1287	1242	1.02
13	A	1265	1221	3.47
14	A	1119	1080	1.26
15	A	1047	1010	0.79
16	A	998	964	12.67
17	A	858	828	3.49
18	A	808	780	2.68
19	A	608	587	2.31
20	A	502	485	0.48
21	A	343	331	0.29
22	A	329	318	0.20
23	A	161	155	1.79
24	A	3133	3024	11.81
25	A	3085	2978	25.42
26	A	3053	2947	35.93
27	A	3024	2919	52.20
28	A	1502	1450	2.98
29	A	1488	1436	1.32
30	A	1420	1371	0.73
31	A	1400	1351	1.38
32	A	1343	1296	17.85
33	A	1305	1260	2.49
34	A	1186	1145	0.26
35	A	1130	1091	0.55
36	A	1100	1062	0.18
37	A	951	918	0.00
38	A	931	898	8.51
39	A	818	790	0.01
40	A	638	616	0.51
41	A	391	378	0.23
42	A	229	221	0.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.569	0.000
C2	0.066	-1.759	0.000
C3	0.407	-0.964	1.303
C4	0.407	-0.964	-1.303
C5	-0.410	0.356	1.417
C6	-0.410	0.356	-1.417
H7	0.628	-2.713	0.000
H8	-1.016	-2.008	0.000
H9	-1.496	0.151	1.390
H10	-1.496	0.151	-1.390
H11	0.190	-1.597	2.188
H12	0.190	-1.597	-2.188
H13	1.488	-0.722	1.311
H14	1.488	-0.722	-1.311
H15	-0.166	0.902	-2.344
H16	-0.166	0.902	2.344

	S1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
S1		3.3287	2.8770	2.8770	1.9092	1.9092	4.3278	3.7178	2.4865	2.4865	3.8526	3.8526	3.0294	3.0294	2.4429	2.4429
C2	3.3287		1.5648	1.5648	2.5904	2.5904	1.1071	1.1105	2.8322	2.8322	2.1971	2.1971	2.1949	2.1949	3.5541	3.5541
C3	2.8770	1.5648		2.6069	1.5567	3.1320	2.1930	2.1943	2.2070	3.4815	1.1089	3.5546	1.1075	2.8395	4.1370	2.2117
C4	2.8770	1.5648	2.6069		3.1320	1.5567	2.1930	2.1943	3.4815	2.2070	3.5546	1.1089	2.8395	1.1075	2.2117	4.1370
C5	1.9092	2.5904	1.5567	3.1320		2.8334	3.5366	2.8217	1.1054	3.0168	2.1841	4.1433	2.1854	3.4937	3.8082	1.1036
C6	1.9092	2.5904	3.1320	1.5567	2.8334		3.5366	2.8217	3.0168	1.1054	4.1433	2.1841	3.4937	2.1854	1.1036	3.8082
H7	4.3278	1.1071	2.1930	2.1930	3.5366	3.5366		1.7892	3.8270	3.8270	2.4946	2.4946	2.5350	2.5350	4.3813	4.3813
H8	3.7178	1.1105	2.1943	2.1943	2.8217	2.8217	1.7892		2.6117	2.6117	2.5318	2.5318	3.1054	3.1054	3.8320	3.8320
H9	2.4865	2.8322	2.2070	3.4815	1.1054	3.0168	3.8270	2.6117		2.7809	2.5561	4.3244	3.1097	4.1186	4.0352	1.8012
H10	2.4865	2.8322	3.4815	2.2070	3.0168	1.1054	3.8270	2.6117	2.7809		4.3244	2.5561	4.1186	3.1097	1.8012	4.0352
H11	3.8526	2.1971	1.1089	3.5546	2.1841	4.1433	2.4946	2.5318	2.5561	4.3244		4.3751	1.7937	3.8328	5.1874	2.5290
H12	3.8526	2.1971	3.5546	1.1089	4.1433	2.1841	2.4946	2.5318	4.3244	2.5561	4.3751		3.8328	1.7937	2.5290	5.1874
H13	3.0294	2.1949	1.1075	2.8395	2.1854	3.4937	2.5350	3.1054	3.1097	4.1186	1.7937	3.8328		2.6224	4.3281	2.5371
H14	3.0294	2.1949	2.8395	1.1075	3.4937	2.1854	2.5350	3.1054	4.1186	3.1097	3.8328	1.7937	2.6224		2.5371	4.3281
H15	2.4429	3.5541	4.1370	2.2117	3.8082	1.1036	4.3813	3.8320	4.0352	1.8012	5.1874	2.5290	4.3281	2.5371		4.6886
H16	2.4429	3.5541	2.2117	4.1370	1.1036	3.8082	4.3813	3.8320	1.8012	4.0352	2.5290	5.1874	2.5371	4.3281	4.6886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C5	C3	111.812	S1	C5	H9	108.162
S1	C5	H16	105.195	S1	C6	C4	111.812
S1	C6	H10	108.162	S1	C6	H15	105.195
C2	C3	C5	112.171	C2	C3	H11	109.336
C2	C3	H13	109.246	C2	C4	C6	112.171
C2	C4	H12	109.336	C2	C4	H14	109.246
C3	C2	C4	112.817	C3	C2	H7	109.126
C3	C2	H8	109.031	C3	C5	H9	110.869
C3	C5	H16	111.343	C4	C2	H7	109.126
C4	C2	H8	109.031	C4	C6	H10	110.869
C4	C6	H15	111.343	C5	S1	C6	95.808
C5	C3	H11	108.887	C5	C3	H13	109.059
C6	C4	H12	108.887	C6	C4	H14	109.059
H7	C2	H8	107.574	H9	C5	H16	109.252
H10	C6	H15	109.252	H11	C3	H13	108.053
H12	C4	H14	108.053

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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