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	hartrees
Energy at 0K	-34.425231
Energy at 298.15K	-34.429570
HF Energy	-34.425231
Nuclear repulsion energy	58.312103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	2962	0.00
2	A₁	2099	1896	445.68
3	A₁	1573	1421	0.36
4	A₁	1145	1034	13.18
5	A₁	1119	1011	0.04
6	A₁	776	701	13.08
7	A₂	3364	3039	0.00
8	A₂	1266	1144	0.00
9	A₂	709	641	0.00
10	B₁	3377	3051	17.28
11	B₁	1217	1099	0.06
12	B₁	752	679	0.34
13	B₁	366	331	8.82
14	B₂	3274	2958	11.05
15	B₂	1548	1399	3.59
16	B₂	1196	1080	21.81
17	B₂	1057	955	123.10
18	B₂	541	489	5.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.410
O2	0.000	0.000	1.596
C3	0.000	0.785	-0.836
C4	0.000	-0.785	-0.836
H5	0.910	1.284	-1.132
H6	-0.910	1.284	-1.132
H7	-0.910	-1.284	-1.132
H8	0.910	-1.284	-1.132

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1859	1.4722	1.4722	2.2026	2.2026	2.2026	2.2026
O2	1.1859		2.5549	2.5549	3.1486	3.1486	3.1486	3.1486
C3	1.4722	2.5549		1.5709	1.0790	1.0790	2.2797	2.2797
C4	1.4722	2.5549	1.5709		2.2797	2.2797	1.0790	1.0790
H5	2.2026	3.1486	1.0790	2.2797		1.8203	3.1471	2.5672
H6	2.2026	3.1486	1.0790	2.2797	1.8203		2.5672	3.1471
H7	2.2026	3.1486	2.2797	1.0790	3.1471	2.5672		1.8203
H8	2.2026	3.1486	2.2797	1.0790	2.5672	3.1471	1.8203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.759	C1	C3	H5	118.582
C1	C3	H6	118.582	C1	C4	C3	57.759
C1	C4	H7	118.582	C1	C4	H8	118.582
O2	C1	C3	147.759	O2	C1	C4	147.759
C3	C1	C4	64.483	C3	C4	H7	117.499
C3	C4	H8	117.499	C4	C3	H5	117.499
C4	C3	H6	117.499	H5	C3	H6	115.026
H7	C4	H8	115.026

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/CEP-121G*

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	C	0.389
2	O	-0.311
3	C	-0.453
4	C	-0.453
5	H	0.207
6	H	0.207
7	H	0.207
8	H	0.207

	x	y	z	Total
	0.000	0.000	-3.280	3.280
CHELPG
AIM
ESP

<r²>	56.719
(<r²>)^1/2	7.531

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)