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	hartrees
Energy at 0K	-229.957141
Energy at 298.15K
HF Energy	-229.957141
Nuclear repulsion energy	159.650016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3211	3193	0.02	206.62	0.12	0.22
2	A₁	3182	3165	2.19	31.08	0.31	0.48
3	A₁	1457	1449	12.62	26.76	0.21	0.35
4	A₁	1365	1357	5.13	13.92	0.40	0.57
5	A₁	1133	1126	0.04	24.73	0.28	0.43
6	A₁	1058	1052	4.08	10.71	0.14	0.25
7	A₁	984	978	34.60	1.86	0.16	0.27
8	A₁	859	854	14.68	0.18	0.71	0.83
9	A₂	814	809	0.00	1.03	0.75	0.86
10	A₂	688	684	0.00	1.56	0.75	0.86
11	A₂	594	591	0.00	0.08	0.75	0.86
12	B₁	773	769	9.18	0.83	0.75	0.86
13	B₁	728	724	66.19	0.27	0.75	0.86
14	B₁	603	600	10.48	1.93	0.75	0.86
15	B₂	3204	3186	2.72	15.12	0.75	0.86
16	B₂	3171	3154	2.68	104.86	0.75	0.86
17	B₂	1535	1526	0.39	0.12	0.75	0.86
18	B₂	1245	1238	0.04	0.92	0.75	0.86
19	B₂	1159	1153	16.25	1.91	0.75	0.86
20	B₂	1024	1018	0.47	3.69	0.75	0.86
21	B₂	865	860	0.32	2.84	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.171
C2	1.103	0.348
C3	-1.103	0.348
C4	0.721	-0.967
C5	-0.721	-0.967
H6	2.060	0.857
H7	-2.060	0.857
H8	1.379	-1.829
H9	-1.379	-1.829

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3759	1.3759	2.2555	2.2555	2.0841	2.0841	3.3018	3.3018
C2	1.3759		2.2065	1.3695	2.2487	1.0838	3.2042	2.1952	3.3023
C3	1.3759	2.2065		2.2487	1.3695	3.2042	1.0838	3.3023	2.1952
C4	2.2555	1.3695	2.2487		1.4416	2.2626	3.3256	1.0852	2.2702
C5	2.2555	2.2487	1.3695	1.4416		3.3256	2.2626	2.2702	1.0852
H6	2.0841	1.0838	3.2042	2.2626	3.3256		4.1208	2.7713	4.3642
H7	2.0841	3.2042	1.0838	3.3256	2.2626	4.1208		4.3642	2.7713
H8	3.3018	2.1952	3.3023	1.0852	2.2702	2.7713	4.3642		2.7582
H9	3.3018	3.3023	2.1952	2.2702	1.0852	4.3642	2.7713	2.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.478	O1	C2	H6	115.330
O1	C3	C5	110.478	O1	C3	H7	115.330
C2	O1	C3	106.611	C2	C4	C5	106.216
C2	C4	H8	126.438	C3	C5	C4	106.216
C3	C5	H9	126.438	C4	C2	H6	134.192
C4	C5	H9	127.346	C5	C3	H7	134.192
C5	C4	H8	127.346

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: BLYP/6-31G(2df,p)

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	O	-0.090
2	C	-0.003
3	C	-0.003
4	C	-0.150
5	C	-0.150
6	H	0.112
7	H	0.112
8	H	0.086
9	H	0.086

<r²>	82.141
(<r²>)^1/2	9.063

All results from a given calculation for C4H4O (Furan)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄O (Furan)