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	hartrees
Energy at 0K	-191.871872
Energy at 298.15K	-191.875847
HF Energy	-191.871872
Nuclear repulsion energy	107.814165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	3017	0.09
2	A₁	1849	1841	295.93
3	A₁	1392	1387	5.42
4	A₁	1011	1007	6.91
5	A₁	971	967	27.18
6	A₁	687	684	2.35
7	A₂	3102	3090	0.00
8	A₂	1127	1122	0.00
9	A₂	616	613	0.00
10	B₁	3115	3103	6.84
11	B₁	1068	1064	0.10
12	B₁	687	684	1.37
13	B₁	290	288	3.18
14	B₂	3028	3016	5.95
15	B₂	1379	1373	5.27
16	B₂	1015	1011	10.42
17	B₂	900	897	121.51
18	B₂	488	486	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
O2	0.000	0.000	1.595
C3	0.000	0.794	-0.866
C4	0.000	-0.794	-0.866
H5	0.918	1.301	-1.173
H6	-0.918	1.301	-1.173
H7	-0.918	-1.301	-1.173
H8	0.918	-1.301	-1.173

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2074	1.4836	1.4836	2.2287	2.2287	2.2287	2.2287
O2	1.2074		2.5855	2.5855	3.1923	3.1923	3.1923	3.1923
C3	1.4836	2.5855		1.5882	1.0922	1.0922	2.3075	2.3075
C4	1.4836	2.5855	1.5882		2.3075	2.3075	1.0922	1.0922
H5	2.2287	3.1923	1.0922	2.3075		1.8355	3.1837	2.6013
H6	2.2287	3.1923	1.0922	2.3075	1.8355		2.6013	3.1837
H7	2.2287	3.1923	2.3075	1.0922	3.1837	2.6013		1.8355
H8	2.2287	3.1923	2.3075	1.0922	2.6013	3.1837	1.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.638	C1	C3	H5	119.038
C1	C3	H6	119.038	C1	C4	C3	57.638
C1	C4	H7	119.038	C1	C4	H8	119.038
O2	C1	C3	147.638	O2	C1	C4	147.638
C3	C1	C4	64.723	C3	C4	H7	117.633
C3	C4	H8	117.633	C4	C3	H5	117.633
C4	C3	H6	117.633	H5	C3	H6	114.339
H7	C4	H8	114.339

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/6-311G**

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	0.178
2	O	-0.222
3	C	-0.258
4	C	-0.258
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140

	x	y	z	Total
	0.000	0.000	-2.644	2.644
CHELPG
AIM
ESP

<r²>	68.612
(<r²>)^1/2	8.283

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)