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	hartrees
Energy at 0K	-231.233992
Energy at 298.15K	-231.241159
Nuclear repulsion energy	173.673276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3153	6.62
2	A	3224	3127	2.15
3	A	3106	3013	35.49
4	A	3060	2968	35.54
5	A	3028	2937	44.25
6	A	3004	2914	46.83
7	A	1688	1637	59.49
8	A	1490	1445	0.47
9	A	1467	1423	0.20
10	A	1396	1354	5.09
11	A	1312	1272	2.88
12	A	1291	1252	5.00
13	A	1232	1195	7.57
14	A	1197	1161	11.35
15	A	1153	1119	68.78
16	A	1087	1054	35.65
17	A	1063	1031	6.96
18	A	1006	976	5.96
19	A	937	909	13.76
20	A	932	904	40.77
21	A	914	887	3.46
22	A	843	818	1.45
23	A	831	806	6.79
24	A	715	693	29.55
25	A	686	665	2.25
26	A	455	442	19.50
27	A	108	105	1.17

Atom	x (Å)	y (Å)	z (Å)
H1	1.013	2.101	0.091
C2	0.552	1.116	0.049
H3	2.272	-0.260	0.021
C4	1.202	-0.052	0.009
O5	0.411	-1.164	-0.075
H6	-1.335	1.174	-1.042
H7	-1.536	1.329	0.714
C8	-0.933	0.838	-0.067
H9	-1.571	-1.216	-0.678
H10	-1.302	-1.012	1.081
C11	-0.959	-0.703	0.078

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0882	2.6769	2.1629	3.3245	2.7662	2.7351	2.3249	4.2740	4.0031	3.4279
C2	1.0882		2.2031	1.3374	2.2882	2.1798	2.2019	1.5152	3.2362	3.0047	2.3650
H3	2.6769	2.2031		1.0903	2.0714	4.0242	4.1844	3.3893	4.0216	3.8026	3.2621
C4	2.1629	1.3374	1.0903		1.3674	3.0068	3.1467	2.3144	3.0849	2.8873	2.2581
O5	3.3245	2.2882	2.0714	1.3674		3.0736	3.2608	2.4118	2.0724	2.0721	1.4541
H6	2.7662	2.1798	4.0242	3.0068	3.0736		1.7744	1.1062	2.4284	3.0467	2.2171
H7	2.7351	2.2019	4.1844	3.1467	3.2608	1.7744		1.1024	2.9009	2.3810	2.2061
C8	2.3249	1.5152	3.3893	2.3144	2.4118	1.1062	1.1024		2.2357	2.2081	1.5480
H9	4.2740	3.2362	4.0216	3.0849	2.0724	2.4284	2.9009	2.2357		1.7909	1.0993
H10	4.0031	3.0047	3.8026	2.8873	2.0721	3.0467	2.3810	2.2081	1.7909		1.1039
C11	3.4279	2.3650	3.2621	2.2581	1.4541	2.2171	2.2061	1.5480	1.0993	1.1039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.866	H1	C2	C8	125.729
C2	C4	H3	130.043	C2	C4	O5	115.545
C2	C8	H6	111.563	C2	C8	H7	113.593
C2	C8	C11	101.073	H3	C4	O5	114.407
C4	C2	C8	108.292	C4	O5	C11	106.280
O5	C11	C8	106.863	O5	C11	H9	107.701
O5	C11	H10	107.412	H6	C8	H7	106.906
H6	C8	C11	112.226	H7	C8	C11	111.573
C8	C11	H9	114.169	C8	C11	H10	111.647
H9	C11	H10	108.751

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.025
2	C	-0.121
3	H	-0.002
4	C	0.170
5	O	-0.279
6	H	0.026
7	H	0.022
8	C	0.008
9	H	0.024
10	H	0.024
11	C	0.153

	x	y	z	Total
	-0.699	0.777	0.103	1.050
CHELPG
AIM
ESP

	x	y	z
x	7.325	-0.190	0.049
y	-0.190	7.302	-0.022
z	0.049	-0.022	4.567

<r²>	94.654
(<r²>)^1/2	9.729

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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