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	hartrees
Energy at 0K	-191.897072
Energy at 298.15K	-191.901182
HF Energy	-191.897072
Nuclear repulsion energy	108.751782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3008	0.47
2	A₁	1959	1890	291.20
3	A₁	1432	1382	3.92
4	A₁	1057	1020	1.73
5	A₁	1024	988	20.59
6	A₁	731	705	2.98
7	A₂	3196	3084	0.00
8	A₂	1167	1126	0.00
9	A₂	628	606	0.00
10	B₁	3209	3097	2.54
11	B₁	1107	1068	0.21
12	B₁	702	677	0.98
13	B₁	327	315	4.62
14	B₂	3117	3008	2.92
15	B₂	1418	1368	3.62
16	B₂	1067	1030	15.27
17	B₂	946	913	106.38
18	B₂	512	494	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.386
O2	0.000	0.000	1.581
C3	0.000	0.785	-0.859
C4	0.000	-0.785	-0.859
H5	0.913	1.290	-1.162
H6	-0.913	1.290	-1.162
H7	-0.913	-1.290	-1.162
H8	0.913	-1.290	-1.162

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1946	1.4721	1.4721	2.2126	2.2126	2.2126	2.2126
O2	1.1946		2.5630	2.5630	3.1657	3.1657	3.1657	3.1657
C3	1.4721	2.5630		1.5702	1.0866	1.0866	2.2875	2.2875
C4	1.4721	2.5630	1.5702		2.2875	2.2875	1.0866	1.0866
H5	2.2126	3.1657	1.0866	2.2875		1.8261	3.1614	2.5806
H6	2.2126	3.1657	1.0866	2.2875	1.8261		2.5806	3.1614
H7	2.2126	3.1657	2.2875	1.0866	3.1614	2.5806		1.8261
H8	2.2126	3.1657	2.2875	1.0866	2.5806	3.1614	1.8261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.769	C1	C3	H5	118.935
C1	C3	H6	118.935	C1	C4	C3	57.769
C1	C4	H7	118.935	C1	C4	H8	118.935
O2	C1	C3	147.769	O2	C1	C4	147.769
C3	C1	C4	64.463	C3	C4	H7	117.706
C3	C4	H8	117.706	C4	C3	H5	117.706
C4	C3	H6	117.706	H5	C3	H6	114.344
H7	C4	H8	114.344

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/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	C	0.440
2	O	-0.268
3	C	-0.376
4	C	-0.376
5	H	0.145
6	H	0.145
7	H	0.145
8	H	0.145

	x	y	z	Total
	0.000	0.000	-2.691	2.691
CHELPG
AIM
ESP

<r²>	67.357
(<r²>)^1/2	8.207

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)