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	hartrees
Energy at 0K	-191.833341
Energy at 298.15K	-191.837351
HF Energy	-191.833341
Nuclear repulsion energy	108.550039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	3015	0.23
2	A₁	1876	1849	329.91
3	A₁	1403	1383	5.36
4	A₁	1029	1014	5.38
5	A₁	984	970	28.35
6	A₁	716	705	3.20
7	A₂	3137	3092	0.00
8	A₂	1142	1126	0.00
9	A₂	615	606	0.00
10	B₁	3151	3105	4.59
11	B₁	1080	1064	0.12
12	B₁	695	685	1.33
13	B₁	284	280	4.08
14	B₂	3060	3016	5.76
15	B₂	1389	1369	5.51
16	B₂	1033	1018	13.79
17	B₂	927	914	109.95
18	B₂	495	488	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.585
C3	0.000	0.785	-0.860
C4	0.000	-0.785	-0.860
H5	0.916	1.291	-1.164
H6	-0.916	1.291	-1.164
H7	-0.916	-1.291	-1.164
H8	0.916	-1.291	-1.164

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2030	1.4700	1.4700	2.2124	2.2124	2.2124	2.2124
O2	1.2030		2.5686	2.5686	3.1720	3.1720	3.1720	3.1720
C3	1.4700	2.5686		1.5709	1.0890	1.0890	2.2893	2.2893
C4	1.4700	2.5686	1.5709		2.2893	2.2893	1.0890	1.0890
H5	2.2124	3.1720	1.0890	2.2893		1.8314	3.1651	2.5814
H6	2.2124	3.1720	1.0890	2.2893	1.8314		2.5814	3.1651
H7	2.2124	3.1720	2.2893	1.0890	3.1651	2.5814		1.8314
H8	2.2124	3.1720	2.2893	1.0890	2.5814	3.1651	1.8314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.702	C1	C3	H5	118.913
C1	C3	H6	118.913	C1	C4	C3	57.702
C1	C4	H7	118.913	C1	C4	H8	118.913
O2	C1	C3	147.702	O2	C1	C4	147.702
C3	C1	C4	64.596	C3	C4	H7	117.644
C3	C4	H8	117.644	C4	C3	H5	117.644
C4	C3	H6	117.644	H5	C3	H6	114.464
H7	C4	H8	114.464

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B97D3/TZVP

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	0.189
2	O	-0.238
3	C	-0.274
4	C	-0.274
5	H	0.149
6	H	0.149
7	H	0.149
8	H	0.149

	x	y	z	Total
	0.000	0.000	-2.900	2.900
CHELPG
AIM
ESP

<r²>	67.843
(<r²>)^1/2	8.237

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)