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	hartrees
Energy at 0K	-231.045566
Energy at 298.15K	-231.039938
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3141	9.75
2	A	3245	3117	3.64
3	A	3120	2996	43.07
4	A	3071	2949	56.35
5	A	3057	2936	20.36
6	A	3028	2908	47.12
7	A	1704	1636	57.92
8	A	1551	1489	0.03
9	A	1528	1467	0.24
10	A	1426	1370	3.71
11	A	1336	1283	1.74
12	A	1319	1267	9.26
13	A	1260	1210	3.80
14	A	1220	1172	5.59
15	A	1179	1132	65.30
16	A	1100	1056	51.69
17	A	1085	1042	7.06
18	A	1014	974	5.31
19	A	939	902	24.29
20	A	937	900	30.44
21	A	914	878	2.73
22	A	848	815	1.48
23	A	840	806	3.50
24	A	719	691	29.02
25	A	701	673	3.09
26	A	452	434	21.38
27	A	64	62	1.46

Atom	x (Å)	y (Å)	z (Å)
H1	1.023	2.090	0.057
C2	0.561	1.112	0.030
H3	2.264	-0.273	0.013
C4	1.202	-0.057	0.006
O5	0.406	-1.168	-0.047
H6	-1.367	1.218	-0.979
H7	-1.489	1.315	0.777
C8	-0.928	0.848	-0.042
H9	-1.533	-1.173	-0.758
H10	-1.366	-1.048	1.008
C11	-0.966	-0.700	0.049

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0817	2.6698	2.1551	3.3177	2.7464	2.7260	2.3145	4.2242	4.0570	3.4269
C2	1.0817		2.1951	1.3334	2.2869	2.1790	2.1919	1.5141	3.1984	3.0556	2.3705
H3	2.6698	2.1951		1.0836	2.0629	4.0488	4.1465	3.3837	3.9778	3.8426	3.2587
C4	2.1551	1.3334	1.0836		1.3679	3.0328	3.1178	2.3150	3.0516	2.9293	2.2624
O5	3.3177	2.2869	2.0629	1.3679		3.1159	3.2310	2.4180	2.0658	2.0661	1.4534
H6	2.7464	2.1790	4.0488	3.0328	3.1159		1.7633	1.0992	2.4073	3.0145	2.2133
H7	2.7260	2.1919	4.1465	3.1178	3.2310	1.7633		1.0972	2.9236	2.3775	2.2058
C8	2.3145	1.5141	3.3837	2.3150	2.4180	1.0992	1.0972		2.2282	2.2116	1.5519
H9	4.2242	3.1984	3.9778	3.0516	2.0658	2.4073	2.9236	2.2282		1.7785	1.0933
H10	4.0570	3.0556	3.8426	2.9293	2.0661	3.0145	2.3775	2.2116	1.7785		1.0959
C11	3.4269	2.3705	3.2587	2.2624	1.4534	2.2133	2.2058	1.5519	1.0933	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.030	H1	C2	C8	125.317
C2	C4	H3	130.204	C2	C4	O5	115.691
C2	C8	H6	112.033	C2	C8	H7	113.162
C2	C8	C11	101.280	H3	C4	O5	114.103
C4	C2	C8	108.610	C4	O5	C11	106.603
O5	C11	C8	107.095	O5	C11	H9	107.560
O5	C11	H10	107.447	H6	C8	H7	106.802
H6	C8	C11	112.089	H7	C8	C11	111.579
C8	C11	H9	113.641	C8	C11	H10	112.149
H9	C11	H10	108.661

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

using model chemistry: G3B3

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	CHELPG	ESP
1	H	0.132	0.123	0.132
2	C	-0.193	-0.341	-0.336
3	H	0.147	0.114	0.133
4	C	0.138	0.067	0.031
5	O	-0.467	-0.296	-0.289
6	H	0.151	-0.046	-0.022
7	H	0.150	-0.053	-0.031
8	C	-0.326	0.291	0.222
9	H	0.153	0.036	0.037
10	H	0.150	0.036	0.041
11	C	-0.036	0.070	0.082

	x	y	z	Total
	-0.718	0.915	0.077	1.165
CHELPG	-0.704	0.863	0.079	1.116
AIM
ESP	-0.745	0.859	0.089	1.140

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	94.453
(<r²>)^1/2	9.719

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

using model chemistry: G3B3

States and conformations

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