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	hartrees
Energy at 0K	-231.157821
Energy at 298.15K	-231.164877
HF Energy	-231.157821
Nuclear repulsion energy	173.713147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3153	7.31
2	A	3166	3125	3.13
3	A	3053	3013	34.27
4	A	3003	2964	43.20
5	A	2979	2940	38.62
6	A	2949	2911	48.14
7	A	1627	1606	63.95
8	A	1486	1467	0.84
9	A	1466	1447	0.48
10	A	1371	1353	3.63
11	A	1294	1277	0.48
12	A	1273	1256	9.03
13	A	1219	1203	8.25
14	A	1182	1166	6.19
15	A	1135	1120	44.56
16	A	1058	1044	33.77
17	A	1045	1031	33.12
18	A	978	965	3.17
19	A	913	901	18.30
20	A	897	885	36.35
21	A	880	869	5.49
22	A	824	813	4.33
23	A	818	807	7.31
24	A	688	679	39.05
25	A	673	665	8.16
26	A	446	440	18.59
27	A	89	88	0.79

Atom	x (Å)	y (Å)	z (Å)
H1	0.957	2.117	0.084
C2	0.525	1.127	0.045
H3	2.273	-0.201	0.019
C4	1.205	-0.022	0.009
O5	0.442	-1.156	-0.070
H6	-1.366	1.147	-1.026
H7	-1.553	1.288	0.724
C8	-0.953	0.817	-0.063
H9	-1.531	-1.242	-0.693
H10	-1.286	-1.049	1.064
C11	-0.949	-0.724	0.073

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0810	2.6668	2.1550	3.3167	2.7513	2.7194	2.3148	4.2512	4.0014	3.4212
C2	1.0810		2.1957	1.3356	2.2871	2.1736	2.1917	1.5138	3.2218	3.0082	2.3663
H3	2.6668	2.1957		1.0834	2.0669	4.0198	4.1656	3.3841	4.0076	3.8046	3.2649
C4	2.1550	1.3356	1.0834		1.3685	3.0084	3.1354	2.3164	3.0762	2.8928	2.2661
O5	3.3167	2.2871	2.0669	1.3685		3.0805	3.2529	2.4165	2.0707	2.0696	1.4636
H6	2.7513	2.1736	4.0198	3.0084	3.0805		1.7654	1.0989	2.4177	3.0329	2.2101
H7	2.7194	2.1917	4.1656	3.1354	3.2529	1.7654		1.0955	2.8990	2.3761	2.1991
C8	2.3148	1.5138	3.3841	2.3164	2.4165	1.0989	1.0955		2.2291	2.2051	1.5473
H9	4.2512	3.2218	4.0076	3.0762	2.0707	2.4177	2.8990	2.2291		1.7844	1.0920
H10	4.0014	3.0082	3.8046	2.8928	2.0696	3.0329	2.3761	2.2051	1.7844		1.0961
C11	3.4212	2.3663	3.2649	2.2661	1.4636	2.2101	2.1991	1.5473	1.0920	1.0961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.725	H1	C2	C8	125.439
C2	C4	H3	130.256	C2	C4	O5	115.338
C2	C8	H6	111.762	C2	C8	H7	113.096
C2	C8	C11	101.410	H3	C4	O5	114.399
C4	C2	C8	108.777	C4	O5	C11	106.646
O5	C11	C8	106.788	O5	C11	H9	107.585
O5	C11	H10	107.223	H6	C8	H7	107.027
H6	C8	C11	112.102	H7	C8	C11	111.529
C8	C11	H9	113.779	C8	C11	H10	112.121
H9	C11	H10	109.021

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.119
2	C	-0.235
3	H	0.128
4	C	0.273
5	O	-0.667
6	H	0.117
7	H	0.117
8	C	-0.192
9	H	0.117
10	H	0.114
11	C	0.111

	x	y	z	Total
	-0.888	0.827	0.072	1.216
CHELPG
AIM
ESP

	x	y	z
x	8.409	-0.166	0.033
y	-0.166	8.458	-0.019
z	0.033	-0.019	6.196

<r²>	94.859
(<r²>)^1/2	9.740

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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