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	hartrees
Energy at 0K	-268.985383
Energy at 298.15K	-268.995364
HF Energy	-268.985383
Nuclear repulsion energy	239.587024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3091	17.69
2	A	3235	3066	1.77
3	A	3177	3011	25.78
4	A	3166	3000	22.33
5	A	3123	2960	24.00
6	A	3109	2947	7.20
7	A	3081	2920	35.81
8	A	3076	2916	26.74
9	A	1745	1654	55.27
10	A	1562	1480	5.03
11	A	1547	1467	7.09
12	A	1538	1458	3.62
13	A	1465	1389	1.89
14	A	1420	1346	1.74
15	A	1407	1334	2.35
16	A	1397	1324	10.12
17	A	1336	1266	2.46
18	A	1314	1245	44.90
19	A	1281	1214	14.39
20	A	1248	1183	6.46
21	A	1130	1071	3.94
22	A	1119	1060	97.37
23	A	1077	1021	10.04
24	A	1065	1010	3.93
25	A	1014	961	0.20
26	A	940	891	8.08
27	A	920	872	5.37
28	A	893	847	19.02
29	A	844	800	3.14
30	A	785	744	15.03
31	A	758	719	24.95
32	A	523	496	7.25
33	A	501	475	3.06
34	A	458	435	21.79
35	A	289	274	0.69
36	A	171	162	5.53

Atom	x (Å)	y (Å)	z (Å)
H1	1.823	1.692	-0.201
C2	0.996	1.004	-0.083
H3	-0.470	2.466	0.094
C4	-0.266	1.404	0.062
H5	-2.238	0.769	-0.504
H6	-1.810	0.361	1.157
C7	-1.416	0.423	0.133
H8	-0.832	-0.972	-1.424
H9	-1.666	-1.749	-0.063
C10	-0.946	-0.970	-0.334
H11	0.793	-2.261	-0.011
H12	0.318	-1.264	1.389
C13	0.415	-1.285	0.295
O14	1.423	-0.312	-0.110

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0820	2.4382	2.1253	4.1758	4.1005	3.4948	3.9552	4.9017	3.8430	4.0894	3.6779	3.3298	2.0448
C2	1.0820		2.0785	1.3323	3.2703	3.1347	2.4907	3.0077	3.8291	2.7804	3.2722	2.7870	2.3912	1.3831
H3	2.4382	2.0785		1.0823	2.5224	2.7126	2.2522	3.7759	4.3840	3.4956	4.8946	4.0264	3.8592	3.3678
C4	2.1253	1.3323	1.0823		2.1477	2.1608	1.5132	2.8593	3.4514	2.5011	3.8159	3.0359	2.7832	2.4137
H5	4.1758	3.2703	2.5224	2.1477		1.7628	1.0965	2.4202	2.6196	2.1741	4.3150	3.7750	3.4493	3.8381
H6	4.1005	3.1347	2.7126	2.1608	1.7628		1.0984	3.0649	2.4415	2.1782	3.8756	2.6877	2.8988	3.5372
C7	3.4948	2.4907	2.2522	1.5132	1.0965	1.0984		2.1707	2.1946	1.5431	3.4795	2.7253	2.5088	2.9428
H8	3.9552	3.0077	3.7759	2.8593	2.4202	3.0649	2.1707		1.7740	1.0950	2.5096	3.0525	2.1463	2.6927
H9	4.9017	3.8291	4.3840	3.4514	2.6196	2.4415	2.1946	1.7740		1.0945	2.5125	2.5059	2.1617	3.4072
C10	3.8430	2.7804	3.4956	2.5011	2.1741	2.1782	1.5431	1.0950	1.0945		2.1897	2.1569	1.5316	2.4689
H11	4.0894	3.2722	4.8946	3.8159	4.3150	3.8756	3.4795	2.5096	2.5125	2.1897		1.7836	1.0913	2.0514
H12	3.6779	2.7870	4.0264	3.0359	3.7750	2.6877	2.7253	3.0525	2.5059	2.1569	1.7836		1.0983	2.0913
C13	3.3298	2.3912	3.8592	2.7832	3.4493	2.8988	2.5088	2.1463	2.1617	1.5316	1.0913	1.0983		1.4586
O14	2.0448	1.3831	3.3678	2.4137	3.8381	3.5372	2.9428	2.6927	3.4072	2.4689	2.0514	2.0913	1.4586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.025	H1	C2	O14	111.511
C2	C4	H3	118.453	C2	C4	C7	122.042
C2	O14	C13	114.565	H3	C4	C7	119.466
C4	C2	O14	125.464	C4	C7	H5	109.733
C4	C7	H6	110.659	C4	C7	C10	109.836
H5	C7	H6	106.862	H5	C7	C10	109.748
H6	C7	C10	109.956	C7	C10	H8	109.568
C7	C10	H9	111.482	C7	C10	C13	109.363
H8	C10	H9	108.236	H8	C10	C13	108.454
H9	C10	C13	109.681	C10	C13	H11	112.107
C10	C13	H12	109.089	C10	C13	O14	111.290
H11	C13	H12	109.097	H11	C13	O14	106.235
H12	C13	O14	108.937

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

using model chemistry: wB97X-D/3-21G*

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	0.237
2	C	0.079
3	H	0.210
4	C	-0.276
5	H	0.225
6	H	0.221
7	C	-0.449
8	H	0.236
9	H	0.217
10	C	-0.470
11	H	0.234
12	H	0.218
13	C	-0.160
14	O	-0.523

	x	y	z	Total
	-1.385	-0.482	0.324	1.502
CHELPG
AIM
ESP

	x	y	z
x	8.177	-0.312	-0.269
y	-0.312	8.012	-0.123
z	-0.269	-0.123	5.096

<r²>	142.296
(<r²>)^1/2	11.929

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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