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	hartrees
Energy at 0K	-191.812458
Energy at 298.15K	-191.816423
HF Energy	-191.812458
Nuclear repulsion energy	107.438356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3045	3020	0.08
2	A₁	1863	1848	258.03
3	A₁	1417	1405	3.92
4	A₁	1019	1011	4.38
5	A₁	992	984	23.31
6	A₁	693	688	2.11
7	A₂	3115	3090	0.00
8	A₂	1140	1131	0.00
9	A₂	624	619	0.00
10	B₁	3128	3103	7.46
11	B₁	1077	1068	0.29
12	B₁	690	684	1.60
13	B₁	288	286	4.00
14	B₂	3045	3020	5.76
15	B₂	1406	1394	2.67
16	B₂	1031	1023	15.22
17	B₂	917	909	111.68
18	B₂	484	480	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.409
O2	0.000	0.000	1.687
C3	0.000	0.803	-0.845
C4	0.000	-0.803	-0.845
H5	0.809	0.726	-1.452
H6	-0.809	0.726	-1.452
H7	-0.809	-0.726	-1.452
H8	0.809	-0.726	-1.452

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2771	1.4895	1.4895	2.1559	2.1559	2.1559	2.1559
O2	1.2771		2.6559	2.6559	3.3217	3.3217	3.3217	3.3217
C3	1.4895	2.6559		1.6058	1.0146	1.0146	1.8334	1.8334
C4	1.4895	2.6559	1.6058		1.8334	1.8334	1.0146	1.0146
H5	2.1559	3.3217	1.0146	1.8334		1.6185	2.1746	1.4523
H6	2.1559	3.3217	1.0146	1.8334	1.6185		1.4523	2.1746
H7	2.1559	3.3217	1.8334	1.0146	2.1746	1.4523		1.6185
H8	2.1559	3.3217	1.8334	1.0146	1.4523	2.1746	1.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.382	C1	C3	H5	117.595
C1	C3	H6	117.595	C1	C4	C3	57.382
C1	C4	H7	117.595	C1	C4	H8	117.595
O2	C1	C3	147.382	O2	C1	C4	147.382
C3	C1	C4	65.236	C3	C4	H7	85.662
C3	C4	H8	85.662	C4	C3	H5	85.662
C4	C3	H6	85.662	H5	C3	H6	105.811
H7	C4	H8	105.811

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/6-31G*

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	0.386
2	O	-0.373
3	C	-0.340
4	C	-0.340
5	H	0.167
6	H	0.167
7	H	0.167
8	H	0.167

	x	y	z	Total
	0.000	0.000	-2.651	2.651
CHELPG
AIM
ESP

<r²>	68.693
(<r²>)^1/2	8.288

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)