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	hartrees
Energy at 0K	-231.310665
Energy at 298.15K	-231.317842
Nuclear repulsion energy	174.343918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3137	6.18
2	A	3219	3111	2.10
3	A	3102	2999	33.55
4	A	3056	2954	42.46
5	A	3036	2934	33.12
6	A	3009	2908	42.05
7	A	1678	1622	59.17
8	A	1523	1472	0.59
9	A	1501	1451	0.46
10	A	1408	1361	3.28
11	A	1326	1282	0.45
12	A	1308	1264	10.36
13	A	1250	1208	7.17
14	A	1210	1169	6.56
15	A	1164	1125	52.18
16	A	1088	1052	41.58
17	A	1075	1039	25.98
18	A	1002	969	4.76
19	A	932	901	14.16
20	A	928	897	37.07
21	A	925	894	9.89
22	A	846	818	2.90
23	A	838	810	6.21
24	A	721	696	39.15
25	A	693	670	3.21
26	A	462	447	19.44
27	A	95	92	1.10

Atom	x (Å)	y (Å)	z (Å)
H1	1.078	2.049	0.078
C2	0.590	1.090	0.042
H3	2.251	-0.325	0.020
C4	1.198	-0.089	0.009
O5	0.372	-1.174	-0.065
H6	-1.301	1.227	-1.011
H7	-1.466	1.366	0.732
C8	-0.901	0.868	-0.058
H9	-1.591	-1.142	-0.703
H10	-1.354	-0.977	1.048
C11	-0.985	-0.669	0.068

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0770	2.6488	2.1430	3.3026	2.7429	2.7145	2.3092	4.2329	4.0018	3.4131
C2	1.0770		2.1820	1.3271	2.2768	2.1684	2.1865	1.5111	3.2079	3.0106	2.3617
H3	2.6488	2.1820		1.0790	2.0629	4.0105	4.1452	3.3714	3.9930	3.8043	3.2546
C4	2.1430	1.3271	1.0790		1.3650	3.0025	3.1205	2.3083	3.0643	2.8944	2.2597
O5	3.3026	2.2768	2.0629	1.3650		3.0752	3.2353	2.4068	2.0640	2.0631	1.4545
H6	2.7429	2.1684	4.0105	3.0025	3.0752		1.7567	1.0942	2.4063	3.0166	2.2042
H7	2.7145	2.1865	4.1452	3.1205	3.2353	1.7567		1.0911	2.8923	2.3672	2.1945
C8	2.3092	1.5111	3.3714	2.3083	2.4068	1.0942	1.0911		2.2209	2.1984	1.5450
H9	4.2329	3.2079	3.9930	3.0643	2.0640	2.4063	2.8923	2.2209		1.7742	1.0878
H10	4.0018	3.0106	3.8043	2.8944	2.0631	3.0166	2.3672	2.1984	1.7742		1.0914
C11	3.4131	2.3617	3.2546	2.2597	1.4545	2.2042	2.1945	1.5450	1.0878	1.0914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.775	H1	C2	C8	125.480
C2	C4	H3	129.867	C2	C4	O5	115.492
C2	C8	H6	111.679	C2	C8	H7	113.349
C2	C8	C11	101.203	H3	C4	O5	114.636
C4	C2	C8	108.667	C4	O5	C11	106.494
O5	C11	C8	106.685	O5	C11	H9	107.687
O5	C11	H10	107.408	H6	C8	H7	107.008
H6	C8	C11	112.142	H7	C8	C11	111.545
C8	C11	H9	113.909	C8	C11	H10	111.840
H9	C11	H10	109.007

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	H	0.120	0.135
2	C	-0.222	-0.372
3	H	0.124	0.138
4	C	0.020	0.017
5	O	-0.263	-0.273
6	H	0.091	-0.046
7	H	0.092	-0.062
8	C	-0.155	0.336
9	H	0.086	0.038
10	H	0.076	0.043
11	C	0.029	0.048

	x	y	z	Total
	-0.740	0.893	0.086	1.163
CHELPG
AIM
ESP	-0.780	0.848	0.090	1.155

	x	y	z
x	7.770	-0.200	0.034
y	-0.200	7.807	-0.025
z	0.034	-0.025	5.277

<r²>	94.268
(<r²>)^1/2	9.709

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)