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	hartrees
Energy at 0K	-268.922008
Energy at 298.15K	-268.932311
HF Energy	-268.922008
Nuclear repulsion energy	243.056801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3058	23.90
2	A	3333	3028	4.09
3	A	3258	2960	51.82
4	A	3222	2928	67.98
5	A	3196	2904	50.92
6	A	3177	2887	17.71
7	A	3161	2872	53.50
8	A	3154	2866	35.37
9	A	1855	1686	100.14
10	A	1641	1491	1.50
11	A	1621	1473	2.71
12	A	1605	1458	2.72
13	A	1561	1419	4.19
14	A	1530	1390	8.16
15	A	1500	1363	1.29
16	A	1474	1340	3.65
17	A	1413	1284	7.93
18	A	1387	1261	129.64
19	A	1361	1236	9.07
20	A	1318	1198	2.15
21	A	1209	1098	14.24
22	A	1203	1093	93.98
23	A	1135	1031	17.50
24	A	1123	1020	3.45
25	A	1088	989	0.31
26	A	1010	918	28.09
27	A	971	882	8.84
28	A	964	876	14.20
29	A	901	818	3.40
30	A	842	765	26.92
31	A	807	733	9.78
32	A	552	501	7.35
33	A	535	486	2.90
34	A	485	441	14.34
35	A	302	274	0.66
36	A	196	178	4.25

Atom	x (Å)	y (Å)	z (Å)
H1	2.121	1.196	-0.088
C2	1.207	0.704	-0.038
H3	0.094	2.396	-0.324
C4	0.072	1.394	-0.046
H5	-2.055	1.335	-0.032
H6	-1.263	0.552	1.331
C7	-1.200	0.730	0.262
H8	-1.041	-0.557	-1.473
H9	-2.052	-1.219	-0.170
C10	-1.158	-0.644	-0.398
H11	0.178	-2.348	-0.130
H12	-0.074	-1.357	1.304
C13	0.061	-1.331	0.227
O14	1.274	-0.640	-0.058

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0385	2.3662	2.0584	4.1786	3.7247	3.3712	3.8713	4.8221	3.7726	4.0421	3.6426	3.2755	2.0220
C2	1.0385		2.0448	1.3287	3.3233	2.8285	2.4262	2.9500	3.7870	2.7463	3.2225	2.7731	2.3510	1.3458
H3	2.3662	2.0448		1.0395	2.4148	2.8246	2.1895	3.3656	4.2068	3.2885	4.7485	4.0937	3.7674	3.2676
C4	2.0584	1.3287	1.0395		2.1284	2.0941	1.4677	2.6616	3.3701	2.4068	3.7449	3.0677	2.7390	2.3630
H5	4.1786	3.3233	2.4148	2.1284		1.7604	1.0887	2.5861	2.5580	2.2039	4.3088	3.6000	3.4140	3.8717
H6	3.7247	2.8285	2.8246	2.0941	1.7604		1.0849	3.0237	2.4524	2.1049	3.5528	2.2494	2.5531	3.1286
C7	3.3712	2.4262	2.1895	1.4677	1.0887	1.0849		2.1666	2.1707	1.5250	3.3951	2.5899	2.4163	2.8462
H8	3.8713	2.9500	3.3656	2.6616	2.5861	3.0237	2.1666		1.7774	1.0854	2.5491	3.0473	2.1684	2.7146
H9	4.8221	3.7870	4.2068	3.3701	2.5580	2.4524	2.1707	1.7774		1.0871	2.5002	2.4713	2.1530	3.3786
C10	3.7726	2.7463	3.2885	2.4068	2.2039	2.1049	1.5250	1.0854	1.0871		2.1818	2.1398	1.5321	2.4560
H11	4.0421	3.2225	4.7485	3.7449	4.3088	3.5528	3.3951	2.5491	2.5002	2.1818		1.7610	1.0841	2.0311
H12	3.6426	2.7731	4.0937	3.0677	3.6000	2.2494	2.5899	3.0473	2.4713	2.1398	1.7610		1.0856	2.0458
C13	3.2755	2.3510	3.7674	2.7390	3.4140	2.5531	2.4163	2.1684	2.1530	1.5321	1.0841	1.0856		1.4254
O14	2.0220	1.3458	3.2676	2.3630	3.8717	3.1286	2.8462	2.7146	3.3786	2.4560	2.0311	2.0458	1.4254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.322	H1	C2	O14	115.397
C2	C4	H3	118.907	C2	C4	C7	120.282
C2	O14	C13	116.041	H3	C4	C7	120.722
C4	C2	O14	124.139	C4	C7	H5	111.873
C4	C7	H6	109.329	C4	C7	C10	107.053
H5	C7	H6	108.170	H5	C7	C10	113.926
H6	C7	C10	106.285	C7	C10	H8	111.076
C7	C10	H9	111.301	C7	C10	C13	104.444
H8	C10	H9	109.794	H8	C10	C13	110.720
H9	C10	C13	109.396	C10	C13	H11	111.877
C10	C13	H12	108.451	C10	C13	O14	112.238
H11	C13	H12	108.506	H11	C13	O14	107.290
H12	C13	O14	108.363

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	H	0.095
2	C	0.002
3	H	0.120
4	C	-0.216
5	H	0.090
6	H	0.082
7	C	-0.087
8	H	0.088
9	H	0.094
10	C	-0.172
11	H	0.102
12	H	0.072
13	C	0.009
14	O	-0.279

	x	y	z	Total
	-1.354	-0.401	0.349	1.455
CHELPG
AIM
ESP

	x	y	z
x	9.229	-0.323	-0.154
y	-0.323	8.575	-0.029
z	-0.154	-0.029	6.658

<r²>	139.827
(<r²>)^1/2	11.825

All results from a given calculation for C5H8O (2H-Pyran, 3,4-dihydro-)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)