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	hartrees
Energy at 0K	-47.777971
Energy at 298.15K	-47.788209
Nuclear repulsion energy	131.309155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3385	3058	35.13
2	A	3348	3024	9.13
3	A	3283	2966	68.32
4	A	3245	2931	93.40
5	A	3216	2906	59.65
6	A	3196	2887	29.91
7	A	3187	2880	60.17
8	A	3174	2868	53.69
9	A	1839	1661	106.07
10	A	1649	1489	0.67
11	A	1631	1474	1.22
12	A	1613	1457	2.47
13	A	1558	1408	6.30
14	A	1529	1381	14.57
15	A	1506	1361	2.17
16	A	1468	1326	3.60
17	A	1409	1273	6.81
18	A	1381	1248	144.34
19	A	1360	1229	5.05
20	A	1313	1186	2.65
21	A	1205	1089	17.11
22	A	1199	1083	84.27
23	A	1132	1023	20.14
24	A	1114	1006	3.06
25	A	1070	967	0.17
26	A	1008	911	29.35
27	A	966	873	15.37
28	A	963	870	6.15
29	A	898	812	3.76
30	A	837	756	29.98
31	A	800	723	8.34
32	A	542	489	8.25
33	A	526	476	3.05
34	A	475	429	16.00
35	A	298	270	0.64
36	A	193	174	4.46

Atom	x (Å)	y (Å)	z (Å)
H1	1.779	1.741	-0.173
C2	0.972	1.035	-0.079
H3	-0.521	2.453	0.104
C4	-0.298	1.400	0.059
H5	-2.243	0.702	-0.525
H6	-1.833	0.336	1.130
C7	-1.426	0.388	0.121
H8	-0.813	-1.025	-1.401
H9	-1.570	-1.785	-0.012
C10	-0.897	-0.988	-0.317
H11	0.900	-2.180	-0.013
H12	0.429	-1.205	1.379
C13	0.486	-1.227	0.291
O14	1.420	-0.245	-0.131

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0763	2.4234	2.1175	4.1689	4.0895	3.4910	3.9848	4.8663	3.8247	4.0220	3.5933	3.2708	2.0191
C2	1.0763		2.0667	1.3283	3.2626	3.1340	2.4914	3.0297	3.7980	2.7645	3.2172	2.7278	2.3434	1.3579
H3	2.4234	2.0667		1.0771	2.5351	2.6941	2.2542	3.8009	4.3677	3.4867	4.8476	3.9887	3.8196	3.3321
C4	2.1175	1.3283	1.0771		2.1475	2.1537	1.5164	2.8772	3.4309	2.4904	3.7762	3.0098	2.7512	2.3863
H5	4.1689	3.2626	2.5351	2.1475		1.7441	1.0879	2.4072	2.6271	2.1702	4.2951	3.7952	3.4397	3.8037
H6	4.0895	3.1340	2.6941	2.1537	1.7441		1.0899	3.0497	2.4234	2.1735	3.8873	2.7489	2.9197	3.5376
C7	3.4910	2.4914	2.2542	1.5164	1.0879	1.0899		2.1655	2.1825	1.5380	3.4678	2.7502	2.5082	2.9263
H8	3.9848	3.0297	3.8009	2.8772	2.4072	3.0497	2.1655		1.7553	1.0876	2.4889	3.0503	2.1423	2.6842
H9	4.8663	3.7980	4.3677	3.4309	2.6271	2.4234	2.1825	1.7553		1.0876	2.5020	2.5042	2.1520	3.3658
C10	3.8247	2.7645	3.4867	2.4904	2.1702	2.1735	1.5380	1.0876	1.0876		2.1781	2.1642	1.5292	2.4400
H11	4.0220	3.2172	4.8476	3.7762	4.2951	3.8873	3.4678	2.4889	2.5020	2.1781		1.7641	1.0832	2.0071
H12	3.5933	2.7278	3.9887	3.0098	3.7952	2.7489	2.7502	3.0503	2.5042	2.1642	1.7641		1.0899	2.0458
C13	3.2708	2.3434	3.8196	2.7512	3.4397	2.9197	2.5082	2.1423	2.1520	1.5292	1.0832	1.0899		1.4196
O14	2.0191	1.3579	3.3321	2.3863	3.8037	3.5376	2.9263	2.6842	3.3658	2.4400	2.0071	2.0458	1.4196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.087	H1	C2	O14	111.572
C2	C4	H3	118.077	C2	C4	C7	122.145
C2	O14	C13	115.058	H3	C4	C7	119.762
C4	C2	O14	125.338	C4	C7	H5	110.003
C4	C7	H6	110.384	C4	C7	C10	109.245
H5	C7	H6	106.432	H5	C7	C10	110.303
H6	C7	C10	110.448	C7	C10	H8	109.950
C7	C10	H9	111.297	C7	C10	C13	109.723
H8	C10	H9	107.595	H8	C10	C13	108.733
H9	C10	C13	109.484	C10	C13	H11	111.831
C10	C13	H12	110.321	C10	C13	O14	111.620
H11	C13	H12	108.540	H11	C13	O14	105.847
H12	C13	O14	108.508

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

using model chemistry: HF/CEP-121G*

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	0.198
2	C	-0.044
3	H	0.211
4	C	-0.282
5	H	0.172
6	H	0.155
7	C	-0.279
8	H	0.165
9	H	0.172
10	C	-0.336
11	H	0.186
12	H	0.145
13	C	-0.106
14	O	-0.358

	x	y	z	Total
	-1.335	-0.387	0.359	1.435
CHELPG
AIM
ESP

	x	y	z
x	9.100	-0.339	-0.187
y	-0.339	8.438	-0.025
z	-0.187	-0.025	6.349

<r²>	116.929
(<r²>)^1/2	10.813

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

using model chemistry: HF/CEP-121G*

States and conformations

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