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	hartrees
Energy at 0K	-270.268050
Energy at 298.15K	-270.277818
Nuclear repulsion energy	240.042211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3102	24.66
2	A	3110	3082	2.62
3	A	3040	3012	33.51
4	A	3023	2996	35.96
5	A	2983	2956	43.71
6	A	2971	2944	10.48
7	A	2937	2910	54.85
8	A	2932	2905	30.40
9	A	1657	1642	71.35
10	A	1449	1436	3.90
11	A	1434	1421	4.81
12	A	1423	1410	2.67
13	A	1377	1365	2.24
14	A	1346	1334	2.42
15	A	1320	1308	1.55
16	A	1301	1289	3.54
17	A	1259	1248	2.49
18	A	1230	1219	71.92
19	A	1212	1201	13.85
20	A	1169	1158	4.40
21	A	1065	1055	4.93
22	A	1058	1049	70.62
23	A	1037	1028	11.83
24	A	1005	996	3.08
25	A	924	916	7.65
26	A	895	887	0.88
27	A	884	876	22.55
28	A	857	849	1.38
29	A	827	819	6.37
30	A	737	730	4.02
31	A	713	707	27.07
32	A	496	492	6.03
33	A	479	475	1.70
34	A	436	432	14.10
35	A	272	270	0.56
36	A	177	176	2.58

Atom	x (Å)	y (Å)	z (Å)
H1	1.650	1.861	-0.204
C2	0.887	1.089	-0.083
H3	-0.732	2.406	0.094
C4	-0.423	1.359	0.066
H5	-2.317	0.521	-0.524
H6	-1.877	0.172	1.146
C7	-1.461	0.268	0.126
H8	-0.733	-1.075	-1.422
H9	-1.460	-1.923	-0.041
C10	-0.834	-1.062	-0.324
H11	1.047	-2.146	-0.014
H12	0.483	-1.197	1.398
C13	0.554	-1.213	0.294
O14	1.450	-0.158	-0.113

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0923	2.4618	2.1500	4.1993	4.1375	3.5107	3.9729	4.9007	3.8376	4.0560	3.6441	3.3015	2.0303
C2	1.0923		2.0939	1.3454	3.2832	3.1608	2.4957	3.0170	3.8186	2.7651	3.2395	2.7537	2.3566	1.3686
H3	2.4618	2.0939		1.0915	2.5385	2.7220	2.2588	3.7969	4.3916	3.4943	4.8879	4.0193	3.8457	3.3728
C4	2.1500	1.3454	1.0915		2.1532	2.1662	1.5072	2.8700	3.4438	2.4866	3.8015	3.0215	2.7611	2.4170
H5	4.1993	3.2832	2.5385	2.1532		1.7619	1.1038	2.4220	2.6349	2.1785	4.3232	3.8058	3.4523	3.8499
H6	4.1375	3.1608	2.7220	2.1662	1.7619		1.1065	3.0762	2.4436	2.1849	3.9074	2.7397	2.9248	3.5730
C7	3.5107	2.4957	2.2588	1.5072	1.1038	1.1065		2.1750	2.1973	1.5376	3.4835	2.7464	2.5062	2.9518
H8	3.9729	3.0170	3.7969	2.8700	2.4220	3.0762	2.1750		1.7767	1.1027	2.5098	3.0740	2.1497	2.7063
H9	4.9007	3.8186	4.3916	3.4438	2.6349	2.4436	2.1973	1.7767		1.1018	2.5171	2.5243	2.1613	3.4047
C10	3.8376	2.7651	3.4943	2.4866	2.1785	2.1849	1.5376	1.1027	1.1018		2.1930	2.1725	1.5268	2.4658
H11	4.0560	3.2395	4.8879	3.8015	4.3232	3.9074	3.4835	2.5098	2.5171	2.1930		1.7923	1.0988	2.0309
H12	3.6441	2.7537	4.0193	3.0215	3.8058	2.7397	2.7464	3.0740	2.5243	2.1725	1.7923		1.1067	2.0736
C13	3.3015	2.3566	3.8457	2.7611	3.4523	2.9248	2.5062	2.1497	2.1613	1.5268	1.0988	1.1067		1.4435
O14	2.0303	1.3686	3.3728	2.4170	3.8499	3.5730	2.9518	2.7063	3.4047	2.4658	2.0309	2.0736	1.4435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.432	H1	C2	O14	110.680
C2	C4	H3	118.091	C2	C4	C7	121.963
C2	O14	C13	113.843	H3	C4	C7	119.879
C4	C2	O14	125.887	C4	C7	H5	110.144
C4	C7	H6	111.018	C4	C7	C10	109.497
H5	C7	H6	105.709	H5	C7	C10	110.038
H6	C7	C10	110.382	C7	C10	H8	109.831
C7	C10	H9	111.644	C7	C10	C13	109.740
H8	C10	H9	107.403	H8	C10	C13	108.599
H9	C10	C13	109.551	C10	C13	H11	112.257
C10	C13	H12	110.142	C10	C13	O14	112.201
H11	C13	H12	108.709	H11	C13	O14	105.236
H12	C13	O14	108.077

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

using model chemistry: PBEPBE/6-311G**

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	0.108
2	C	0.087
3	H	0.104
4	C	-0.242
5	H	0.134
6	H	0.133
7	C	-0.202
8	H	0.144
9	H	0.127
10	C	-0.311
11	H	0.126
12	H	0.128
13	C	-0.051
14	O	-0.284

	x	y	z	Total
	-1.073	-0.627	0.248	1.268
CHELPG
AIM
ESP

	x	y	z
x	9.685	-0.240	-0.171
y	-0.240	9.432	-0.095
z	-0.171	-0.095	6.557

<r²>	142.396
(<r²>)^1/2	11.933

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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