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	hartrees
Energy at 0K	-190.560424
Energy at 298.15K	-190.564695
HF Energy	-190.423694
Nuclear repulsion energy	107.488731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3025	0.57
2	A₁	1858	1769	163.39
3	A₁	1500	1428	7.89
4	A₁	1093	1041	50.12
5	A₁	995	947	0.00
6	A₁	699	665	2.64
7	A₂	3257	3100	0.00
8	A₂	1194	1137	0.00
9	A₂	715	681	0.00
10	B₁	3271	3114	1.48
11	B₁	1149	1094	0.25
12	B₁	741	705	2.43
13	B₁	410	390	2.25
14	B₂	3174	3022	0.75
15	B₂	1488	1416	8.36
16	B₂	1123	1069	0.65
17	B₂	970	924	156.67
18	B₂	515	491	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.388
O2	0.000	0.000	1.601
C3	0.000	0.790	-0.868
C4	0.000	-0.790	-0.868
H5	0.913	1.283	-1.180
H6	-0.913	1.283	-1.180
H7	-0.913	-1.283	-1.180
H8	0.913	-1.283	-1.180

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2136	1.4834	1.4834	2.2223	2.2223	2.2223	2.2223
O2	1.2136		2.5925	2.5925	3.1963	3.1963	3.1963	3.1963
C3	1.4834	2.5925		1.5792	1.0839	1.0839	2.2866	2.2866
C4	1.4834	2.5925	1.5792		2.2866	2.2866	1.0839	1.0839
H5	2.2223	3.1963	1.0839	2.2866		1.8261	3.1502	2.5669
H6	2.2223	3.1963	1.0839	2.2866	1.8261		2.5669	3.1502
H7	2.2223	3.1963	2.2866	1.0839	3.1502	2.5669		1.8261
H8	2.2223	3.1963	2.2866	1.0839	2.5669	3.1502	1.8261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.838	C1	C3	H5	119.091
C1	C3	H6	119.091	C1	C4	C3	57.838
C1	C4	H7	119.091	C1	C4	H8	119.091
O2	C1	C3	147.838	O2	C1	C4	147.838
C3	C1	C4	64.323	C3	C4	H7	117.104
C3	C4	H8	117.104	C4	C3	H5	117.104
C4	C3	H6	117.104	H5	C3	H6	114.780
H7	C4	H8	114.780

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B2PLYP=FULL/3-21G

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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All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)