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	hartrees
Energy at 0K	-34.414432
Energy at 298.15K	-34.418731
HF Energy	-34.414432
Nuclear repulsion energy	57.987939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	2977	0.10
2	A₁	2136	1918	449.18
3	A₁	1578	1417	0.09
4	A₁	1138	1022	12.33
5	A₁	1134	1019	0.00
6	A₁	774	695	15.25
7	A₂	3402	3055	0.00
8	A₂	1257	1129	0.00
9	A₂	679	610	0.00
10	B₁	3416	3067	24.48
11	B₁	1211	1087	0.23
12	B₁	735	660	1.05
13	B₁	369	331	10.05
14	B₂	3310	2973	15.59
15	B₂	1544	1387	4.36
16	B₂	1191	1070	30.45
17	B₂	1056	948	111.91
18	B₂	533	479	6.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.413
O2	0.000	0.000	1.605
C3	0.000	0.790	-0.842
C4	0.000	-0.790	-0.842
H5	0.915	1.288	-1.137
H6	-0.915	1.288	-1.137
H7	-0.915	-1.288	-1.137
H8	0.915	-1.288	-1.137

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1921	1.4828	1.4828	2.2132	2.2132	2.2132	2.2132
O2	1.1921		2.5712	2.5712	3.1645	3.1645	3.1645	3.1645
C3	1.4828	2.5712		1.5808	1.0828	1.0828	2.2902	2.2902
C4	1.4828	2.5712	1.5808		2.2902	2.2902	1.0828	1.0828
H5	2.2132	3.1645	1.0828	2.2902		1.8306	3.1603	2.5762
H6	2.2132	3.1645	1.0828	2.2902	1.8306		2.5762	3.1603
H7	2.2132	3.1645	2.2902	1.0828	3.1603	2.5762		1.8306
H8	2.2132	3.1645	2.2902	1.0828	2.5762	3.1603	1.8306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.789	C1	C3	H5	118.398
C1	C3	H6	118.398	C1	C4	C3	57.789
C1	C4	H7	118.398	C1	C4	H8	118.398
O2	C1	C3	147.789	O2	C1	C4	147.789
C3	C1	C4	64.422	C3	C4	H7	117.364
C3	C4	H8	117.364	C4	C3	H5	117.364
C4	C3	H6	117.364	H5	C3	H6	115.399
H7	C4	H8	115.399

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/CEP-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	0.102
2	O	-0.136
3	C	-0.322
4	C	-0.322
5	H	0.169
6	H	0.169
7	H	0.169
8	H	0.169

	x	y	z	Total
	0.000	0.000	-3.263	3.263
CHELPG
AIM
ESP

<r²>	57.204
(<r²>)^1/2	7.563

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)