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	hartrees
Energy at 0K	-231.197471
Energy at 298.15K	-231.204674
Nuclear repulsion energy	174.439745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3150	4.73
2	A	3259	3123	1.15
3	A	3149	3018	29.01
4	A	3103	2974	27.65
5	A	3069	2941	41.91
6	A	3045	2918	43.47
7	A	1700	1629	69.69
8	A	1508	1445	1.32
9	A	1483	1422	1.08
10	A	1403	1345	5.78
11	A	1325	1270	2.94
12	A	1294	1240	5.45
13	A	1245	1193	7.90
14	A	1207	1157	15.21
15	A	1166	1117	73.44
16	A	1101	1055	30.98
17	A	1067	1023	4.14
18	A	1026	983	7.85
19	A	956	917	12.16
20	A	947	907	49.26
21	A	916	878	5.12
22	A	849	814	1.95
23	A	841	806	5.98
24	A	713	683	44.05
25	A	690	661	4.02
26	A	459	440	19.54
27	A	107	102	1.01

Atom	x (Å)	y (Å)	z (Å)
H1	1.016	2.088	0.093
C2	0.552	1.109	0.047
H3	2.265	-0.263	0.024
C4	1.199	-0.057	0.010
O5	0.403	-1.160	-0.077
H6	-1.323	1.171	-1.039
H7	-1.521	1.329	0.712
C8	-0.927	0.837	-0.068
H9	-1.569	-1.205	-0.672
H10	-1.293	-1.000	1.081
C11	-0.958	-0.695	0.080

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0845	2.6637	2.1550	3.3096	2.7562	2.7201	2.3167	4.2555	3.9807	3.4123
C2	1.0845		2.1953	1.3342	2.2770	2.1683	2.1885	1.5081	3.2200	2.9869	2.3529
H3	2.6637	2.1953		1.0864	2.0691	4.0082	4.1651	3.3775	4.0088	3.7847	3.2527
C4	2.1550	1.3342	1.0864		1.3621	2.9952	3.1326	2.3072	3.0726	2.8713	2.2501
O5	3.3096	2.2770	2.0691	1.3621		3.0559	3.2434	2.3988	2.0604	2.0601	1.4470
H6	2.7562	2.1683	4.0082	2.9952	3.0559		1.7693	1.1008	2.4161	3.0341	2.2060
H7	2.7201	2.1885	4.1651	3.1326	3.2434	1.7693		1.0975	2.8873	2.3688	2.1939
C8	2.3167	1.5081	3.3775	2.3072	2.3988	1.1008	1.0975		2.2234	2.1970	1.5391
H9	4.2555	3.2200	4.0088	3.0726	2.0604	2.4161	2.8873	2.2234		1.7859	1.0945
H10	3.9807	2.9869	3.7847	2.8713	2.0601	3.0341	2.3688	2.1970	1.7859		1.0987
C11	3.4123	2.3529	3.2527	2.2501	1.4470	2.2060	2.1939	1.5391	1.0945	1.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.671	H1	C2	C8	125.864
C2	C4	H3	129.881	C2	C4	O5	115.229
C2	C8	H6	111.471	C2	C8	H7	113.320
C2	C8	C11	101.091	H3	C4	O5	114.883
C4	C2	C8	108.373	C4	O5	C11	106.415
O5	C11	C8	106.861	O5	C11	H9	107.521
O5	C11	H10	107.257	H6	C8	H7	107.190
H6	C8	C11	112.304	H7	C8	C11	111.533
C8	C11	H9	114.125	C8	C11	H10	111.712
H9	C11	H10	109.037

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

using model chemistry: mPW1PW91/aug-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	-0.385
2	C	0.561
3	H	-0.359
4	C	0.425
5	O	-0.605
6	H	-0.191
7	H	-0.170
8	C	0.356
9	H	-0.290
10	H	-0.275
11	C	0.932

	x	y	z	Total
	-0.812	0.900	0.091	1.215
CHELPG
AIM
ESP

	x	y	z
x	8.204	-0.192	0.035
y	-0.192	8.230	-0.024
z	0.035	-0.024	6.053

<r²>	94.108
(<r²>)^1/2	9.701

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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