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	hartrees
Energy at 0K	-190.703951
Energy at 298.15K	-190.708100
HF Energy	-190.703951
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3037	0.32
2	A₁	1835	1804	184.31
3	A₁	1440	1415	10.13
4	A₁	1029	1012	55.92
5	A₁	970	953	0.83
6	A₁	689	677	2.26
7	A₂	3169	3115	0.00
8	A₂	1153	1134	0.00
9	A₂	661	650	0.00
10	B₁	3185	3131	3.45
11	B₁	1106	1087	0.38
12	B₁	708	696	2.98
13	B₁	387	380	1.75
14	B₂	3087	3035	2.28
15	B₂	1429	1405	8.72
16	B₂	1057	1039	0.18
17	B₂	935	919	154.98
18	B₂	500	491	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
O2	0.000	0.000	1.611
C3	0.000	0.796	-0.874
C4	0.000	-0.796	-0.874
H5	0.921	1.292	-1.180
H6	-0.921	1.292	-1.180
H7	-0.921	-1.292	-1.180
H8	0.921	-1.292	-1.180

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2245	1.4910	1.4910	2.2304	2.2304	2.2304	2.2304
O2	1.2245		2.6095	2.6095	3.2111	3.2111	3.2111	3.2111
C3	1.4910	2.6095		1.5924	1.0904	1.0904	2.3033	2.3033
C4	1.4910	2.6095	1.5924		2.3033	2.3033	1.0904	1.0904
H5	2.2304	3.2111	1.0904	2.3033		1.8427	3.1744	2.5848
H6	2.2304	3.2111	1.0904	2.3033	1.8427		2.5848	3.1744
H7	2.2304	3.2111	2.3033	1.0904	3.1744	2.5848		1.8427
H8	2.2304	3.2111	2.3033	1.0904	2.5848	3.1744	1.8427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.387	C1	C3	H5	117.582
C1	C3	H6	117.582	C1	C4	C3	57.387
C1	C4	H7	117.582	C1	C4	H8	117.582
O2	C1	C3	147.387	O2	C1	C4	147.387
C3	C1	C4	65.226	C3	C4	H7	85.644
C3	C4	H8	85.644	C4	C3	H5	85.644
C4	C3	H6	85.644	H5	C3	H6	105.817
H7	C4	H8	105.817

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B97D3/3-21G

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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Number	Element	Mulliken
1	C	0.318
2	O	-0.422
3	C	-0.434
4	C	-0.434
5	H	0.243
6	H	0.243
7	H	0.243
8	H	0.243

	x	y	z	Total
	0.000	0.000	-2.545	2.545
CHELPG
AIM
ESP

<r²>	69.006
(<r²>)^1/2	8.307

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)