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	hartrees
Energy at 0K	-190.774402
Energy at 298.15K	-190.778784
HF Energy	-190.774402
Nuclear repulsion energy	109.933371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	2963	0.30
2	A₁	2139	1943	428.21
3	A₁	1566	1422	1.50
4	A₁	1141	1037	17.25
5	A₁	1128	1025	2.07
6	A₁	782	710	11.80
7	A₂	3340	3035	0.00
8	A₂	1263	1148	0.00
9	A₂	705	641	0.00
10	B₁	3354	3047	8.51
11	B₁	1215	1104	0.32
12	B₁	760	690	0.42
13	B₁	383	348	8.21
14	B₂	3257	2959	5.51
15	B₂	1539	1399	6.95
16	B₂	1192	1083	19.44
17	B₂	1055	959	134.55
18	B₂	556	505	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.386
O2	0.000	0.000	1.559
C3	0.000	0.781	-0.850
C4	0.000	-0.781	-0.850
H5	0.908	1.277	-1.146
H6	-0.908	1.277	-1.146
H7	-0.908	-1.277	-1.146
H8	0.908	-1.277	-1.146

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1727	1.4617	1.4617	2.1916	2.1916	2.1916	2.1916
O2	1.1727		2.5318	2.5318	3.1259	3.1259	3.1259	3.1259
C3	1.4617	2.5318		1.5611	1.0768	1.0768	2.2688	2.2688
C4	1.4617	2.5318	1.5611		2.2688	2.2688	1.0768	1.0768
H5	2.1916	3.1259	1.0768	2.2688		1.8168	3.1347	2.5545
H6	2.1916	3.1259	1.0768	2.2688	1.8168		2.5545	3.1347
H7	2.1916	3.1259	2.2688	1.0768	3.1347	2.5545		1.8168
H8	2.1916	3.1259	2.2688	1.0768	2.5545	3.1347	1.8168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.725	C1	C3	H5	118.603
C1	C3	H6	118.603	C1	C4	C3	57.725
C1	C4	H7	118.603	C1	C4	H8	118.603
O2	C1	C3	147.725	O2	C1	C4	147.725
C3	C1	C4	64.551	C3	C4	H7	117.470
C3	C4	H8	117.470	C4	C3	H5	117.470
C4	C3	H6	117.470	H5	C3	H6	115.043
H7	C4	H8	115.043

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/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	0.336
2	O	-0.359
3	C	-0.276
4	C	-0.276
5	H	0.144
6	H	0.144
7	H	0.144
8	H	0.144

	x	y	z	Total
	0.000	0.000	-3.094	3.094
CHELPG
AIM
ESP

<r²>	66.579
(<r²>)^1/2	8.160

All results from a given calculation for C3H4O (Cyclopropanone)

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

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)