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	hartrees
Energy at 0K	-268.940741
Energy at 298.15K	-268.950746
HF Energy	-268.940741
Nuclear repulsion energy	239.330267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3100	12.23
2	A	3219	3049	2.06
3	A	3144	2978	19.55
4	A	3132	2967	17.78
5	A	3122	2957	12.57
6	A	3081	2918	11.02
7	A	3070	2907	30.08
8	A	3050	2889	17.24
9	A	1741	1649	51.02
10	A	1563	1480	4.23
11	A	1545	1464	4.35
12	A	1535	1454	4.34
13	A	1458	1381	1.27
14	A	1415	1340	2.48
15	A	1397	1324	0.77
16	A	1391	1318	9.58
17	A	1327	1257	2.76
18	A	1306	1237	46.47
19	A	1272	1205	17.23
20	A	1243	1177	4.78
21	A	1128	1068	4.53
22	A	1121	1061	84.05
23	A	1077	1020	4.77
24	A	1060	1004	4.41
25	A	1039	984	0.04
26	A	939	890	10.88
27	A	922	874	3.39
28	A	897	850	19.76
29	A	852	807	2.12
30	A	800	758	25.39
31	A	764	724	11.49
32	A	518	491	8.33
33	A	496	470	3.06
34	A	460	436	19.21
35	A	293	278	0.64
36	A	180	171	5.63

Atom	x (Å)	y (Å)	z (Å)
H1	1.701	1.814	-0.202
C2	0.919	1.075	-0.084
H3	-0.658	2.424	0.092
C4	-0.369	1.381	0.063
H5	-2.296	0.605	-0.494
H6	-1.823	0.219	1.164
C7	-1.448	0.317	0.137
H8	-0.742	-1.011	-1.431
H9	-1.537	-1.863	-0.086
C10	-0.871	-1.034	-0.344
H11	0.959	-2.194	-0.001
H12	0.404	-1.222	1.397
C13	0.504	-1.251	0.304
O14	1.447	-0.213	-0.112

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0823	2.4542	2.1309	4.1858	4.1022	3.5030	3.9322	4.9010	3.8407	4.0813	3.6685	3.3291	2.0453
C2	1.0823		2.0830	1.3318	3.2750	3.1319	2.4952	2.9879	3.8295	2.7792	3.2702	2.7811	2.3942	1.3927
H3	2.4542	2.0830		1.0830	2.5172	2.7148	2.2510	3.7590	4.3800	3.4925	4.8938	4.0159	3.8600	3.3810
C4	2.1309	1.3318	1.0830		2.1508	2.1630	1.5174	2.8447	3.4511	2.5004	3.8139	3.0257	2.7830	2.4229
H5	4.1858	3.2750	2.5172	2.1508		1.7668	1.0956	2.4298	2.6138	2.1768	4.3206	3.7687	3.4522	3.8506
H6	4.1022	3.1319	2.7148	2.1630	1.7668		1.0977	3.0681	2.4449	2.1793	3.8618	2.6627	2.8829	3.5369
C7	3.5030	2.4952	2.2510	1.5174	1.0956	1.0977		2.1725	2.1930	1.5458	3.4804	2.7176	2.5087	2.9538
H8	3.9322	2.9879	3.7590	2.8447	2.4298	3.0681	2.1725		1.7791	1.0946	2.5171	3.0581	2.1493	2.6776
H9	4.9010	3.8295	4.3800	3.4511	2.6138	2.4449	2.1930	1.7791		1.0937	2.5190	2.5254	2.1662	3.4102
C10	3.8407	2.7792	3.4925	2.5004	2.1768	2.1793	1.5458	1.0946	1.0937		2.1935	2.1662	1.5356	2.4708
H11	4.0813	3.2702	4.8938	3.8139	4.3206	3.8618	3.4804	2.5171	2.5190	2.1935		1.7899	1.0907	2.0431
H12	3.6685	2.7811	4.0159	3.0257	3.7687	2.6627	2.7176	3.0581	2.5254	2.1662	1.7899		1.0972	2.0935
C13	3.3291	2.3942	3.8600	2.7830	3.4522	2.8829	2.5087	2.1493	2.1662	1.5356	1.0907	1.0972		1.4629
O14	2.0453	1.3927	3.3810	2.4229	3.8506	3.5369	2.9538	2.6776	3.4102	2.4708	2.0431	2.0935	1.4629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.605	H1	C2	O14	110.836
C2	C4	H3	118.858	C2	C4	C7	122.139
C2	O14	C13	113.924	H3	C4	C7	118.964
C4	C2	O14	125.558	C4	C7	H5	109.743
C4	C7	H6	110.590	C4	C7	C10	109.427
H5	C7	H6	107.328	H5	C7	C10	109.827
H6	C7	C10	109.901	C7	C10	H8	109.553
C7	C10	H9	111.215	C7	C10	C13	109.003
H8	C10	H9	108.781	H8	C10	C13	108.440
H9	C10	C13	109.803	C10	C13	H11	112.160
C10	C13	H12	109.599	C10	C13	O14	110.953
H11	C13	H12	109.789	H11	C13	O14	105.346
H12	C13	O14	108.881

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

using model chemistry: M06-2X/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	0.226
2	C	0.089
3	H	0.203
4	C	-0.268
5	H	0.216
6	H	0.212
7	C	-0.425
8	H	0.225
9	H	0.206
10	C	-0.447
11	H	0.222
12	H	0.204
13	C	-0.131
14	O	-0.533

	x	y	z	Total
	-1.443	-0.390	0.357	1.537
CHELPG
AIM
ESP

	x	y	z
x	8.139	-0.283	-0.272
y	-0.283	7.976	-0.105
z	-0.272	-0.105	5.041

<r²>	142.724
(<r²>)^1/2	11.947

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

using model chemistry: M06-2X/3-21G*

States and conformations

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