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	hartrees
Energy at 0K	-270.218539
Energy at 298.15K	-270.228281
Nuclear repulsion energy	239.542496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3113	21.99
2	A	3128	3092	1.95
3	A	3052	3017	30.56
4	A	3036	3002	33.09
5	A	2995	2961	38.76
6	A	2983	2949	11.55
7	A	2949	2915	54.09
8	A	2944	2910	33.27
9	A	1656	1637	84.16
10	A	1453	1436	3.81
11	A	1440	1423	6.13
12	A	1428	1412	2.49
13	A	1379	1363	4.34
14	A	1348	1332	3.13
15	A	1322	1307	1.73
16	A	1301	1287	4.01
17	A	1257	1243	2.50
18	A	1234	1220	82.45
19	A	1212	1199	11.75
20	A	1167	1154	3.78
21	A	1066	1053	9.29
22	A	1062	1049	69.37
23	A	1039	1027	9.82
24	A	1005	994	3.51
25	A	925	914	7.53
26	A	891	881	1.09
27	A	884	874	23.96
28	A	858	848	1.77
29	A	827	818	6.91
30	A	736	728	5.12
31	A	710	702	34.90
32	A	495	489	5.04
33	A	479	474	1.93
34	A	434	429	14.69
35	A	273	270	0.58
36	A	178	176	2.67

Atom	x (Å)	y (Å)	z (Å)
H1	1.660	1.861	-0.206
C2	0.892	1.091	-0.083
H3	-0.730	2.412	0.094
C4	-0.423	1.362	0.065
H5	-2.321	0.526	-0.523
H6	-1.879	0.174	1.149
C7	-1.463	0.270	0.126
H8	-0.739	-1.077	-1.426
H9	-1.465	-1.923	-0.039
C10	-0.837	-1.061	-0.326
H11	1.046	-2.151	-0.016
H12	0.484	-1.200	1.400
C13	0.552	-1.217	0.294
O14	1.452	-0.162	-0.112

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0938	2.4709	2.1591	4.2111	4.1479	3.5209	3.9842	4.9103	3.8458	4.0629	3.6511	3.3095	2.0351
C2	1.0938		2.0989	1.3511	3.2924	3.1686	2.5036	3.0275	3.8270	2.7722	3.2468	2.7601	2.3641	1.3727
H3	2.4709	2.0989		1.0937	2.5435	2.7274	2.2637	3.8056	4.3988	3.5000	4.8972	4.0276	3.8538	3.3801
C4	2.1591	1.3511	1.0937		2.1561	2.1692	1.5095	2.8765	3.4483	2.4897	3.8088	3.0281	2.7671	2.4228
H5	4.2111	3.2924	2.5435	2.1561		1.7650	1.1057	2.4269	2.6393	2.1821	4.3314	3.8140	3.4584	3.8575
H6	4.1479	3.1686	2.7274	2.1692	1.7650		1.1083	3.0818	2.4463	2.1881	3.9141	2.7450	2.9286	3.5777
C7	3.5209	2.5036	2.2637	1.5095	1.1057	1.1083		2.1794	2.1998	1.5395	3.4900	2.7526	2.5104	2.9570
H8	3.9842	3.0275	3.8056	2.8765	2.4269	3.0818	2.1794		1.7791	1.1047	2.5151	3.0817	2.1546	2.7137
H9	4.9103	3.8270	4.3988	3.4483	2.6393	2.4463	2.1998	1.7791		1.1038	2.5211	2.5285	2.1623	3.4084
C10	3.8458	2.7722	3.5000	2.4897	2.1821	2.1881	1.5395	1.1047	1.1038		2.1975	2.1779	1.5288	2.4691
H11	4.0629	3.2468	4.8972	3.8088	4.3314	3.9141	3.4900	2.5151	2.5211	2.1975		1.7961	1.1009	2.0327
H12	3.6511	2.7601	4.0276	3.0281	3.8140	2.7450	2.7526	3.0817	2.5285	2.1779	1.7961		1.1086	2.0743
C13	3.3095	2.3641	3.8538	2.7671	3.4584	2.9286	2.5104	2.1546	2.1623	1.5288	1.1009	1.1086		1.4457
O14	2.0351	1.3727	3.3801	2.4228	3.8575	3.5777	2.9570	2.7137	3.4084	2.4691	2.0327	2.0743	1.4457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.698	H1	C2	O14	110.692
C2	C4	H3	117.918	C2	C4	C7	122.038
C2	O14	C13	113.998	H3	C4	C7	119.982
C4	C2	O14	125.609	C4	C7	H5	110.108
C4	C7	H6	110.991	C4	C7	C10	109.484
H5	C7	H6	105.728	H5	C7	C10	110.080
H6	C7	C10	110.398	C7	C10	H8	109.930
C7	C10	H9	111.588	C7	C10	C13	109.806
H8	C10	H9	107.331	H8	C10	C13	108.734
H9	C10	C13	109.381	C10	C13	H11	112.349
C10	C13	H12	110.321	C10	C13	O14	112.183
H11	C13	H12	108.761	H11	C13	O14	105.113
H12	C13	O14	107.871

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

using model chemistry: PBEPBE/6-31+G**

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	0.142
2	C	-0.255
3	H	0.144
4	C	0.123
5	H	0.172
6	H	0.178
7	C	-0.467
8	H	0.188
9	H	0.167
10	C	-0.278
11	H	0.163
12	H	0.167
13	C	-0.204
14	O	-0.240

	x	y	z	Total
	-1.270	-0.684	0.268	1.467
CHELPG
AIM
ESP

	x	y	z
x	10.382	-0.284	-0.129
y	-0.284	10.013	-0.042
z	-0.129	-0.042	7.571

<r²>	143.197
(<r²>)^1/2	11.966

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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