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	hartrees
Energy at 0K	-191.796445
Energy at 298.15K	-191.800558
HF Energy	-191.560930
Nuclear repulsion energy	108.912259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3013	0.71
2	A₁	1918	1840	296.99
3	A₁	1446	1387	3.43
4	A₁	1055	1012	6.12
5	A₁	1017	976	21.43
6	A₁	724	695	2.84
7	A₂	3223	3092	0.00
8	A₂	1172	1125	0.00
9	A₂	640	614	0.00
10	B₁	3236	3104	1.67
11	B₁	1111	1066	0.04
12	B₁	706	677	0.79
13	B₁	309	296	3.81
14	B₂	3140	3012	2.13
15	B₂	1429	1371	5.66
16	B₂	1073	1029	15.67
17	B₂	960	921	109.18
18	B₂	510	490	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.681
C3	0.000	0.803	-0.842
C4	0.000	-0.803	-0.842
H5	0.808	0.726	-1.448
H6	-0.808	0.726	-1.448
H7	-0.808	-0.726	-1.448
H8	0.808	-0.726	-1.448

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2726	1.4860	1.4860	2.1505	2.1505	2.1505	2.1505
O2	1.2726		2.6478	2.6478	3.3119	3.3119	3.3119	3.3119
C3	1.4860	2.6478		1.6052	1.0125	1.0125	1.8317	1.8317
C4	1.4860	2.6478	1.6052		1.8317	1.8317	1.0125	1.0125
H5	2.1505	3.3119	1.0125	1.8317		1.6155	2.1718	1.4515
H6	2.1505	3.3119	1.0125	1.8317	1.6155		1.4515	2.1718
H7	2.1505	3.3119	1.8317	1.0125	2.1718	1.4515		1.6155
H8	2.1505	3.3119	1.8317	1.0125	1.4515	2.1718	1.6155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.308	C1	C3	H5	117.543
C1	C3	H6	117.543	C1	C4	C3	57.308
C1	C4	H7	117.543	C1	C4	H8	117.543
O2	C1	C3	147.308	O2	C1	C4	147.308
C3	C1	C4	65.384	C3	C4	H7	85.648
C3	C4	H8	85.648	C4	C3	H5	85.648
C4	C3	H6	85.648	H5	C3	H6	105.836
H7	C4	H8	105.836

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B2PLYP/cc-pVTZ

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	0.234
2	O	-0.214
3	C	-0.277
4	C	-0.277
5	H	0.133
6	H	0.133
7	H	0.133
8	H	0.133

	x	y	z	Total
	0.000	0.000	-2.816	2.816
CHELPG
AIM
ESP

<r²>	67.519
(<r²>)^1/2	8.217

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)