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	hartrees
Energy at 0K	-191.656803
Energy at 298.15K	-191.660791
HF Energy	-191.656803
Nuclear repulsion energy	107.854275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3019	0.81
2	A₁	1901	1875	268.70
3	A₁	1391	1372	5.57
4	A₁	1044	1030	1.12
5	A₁	986	972	31.82
6	A₁	722	712	2.87
7	A₂	3141	3098	0.00
8	A₂	1133	1118	0.00
9	A₂	595	587	0.00
10	B₁	3154	3111	2.06
11	B₁	1066	1052	0.42
12	B₁	684	675	2.35
13	B₁	296	292	3.56
14	B₂	3062	3020	2.42
15	B₂	1376	1357	4.78
16	B₂	1031	1017	24.60
17	B₂	925	912	105.87
18	B₂	492	485	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.386
O2	0.000	0.000	1.598
C3	0.000	0.787	-0.867
C4	0.000	-0.787	-0.867
H5	0.919	1.298	-1.174
H6	-0.919	1.298	-1.174
H7	-0.919	-1.298	-1.174
H8	0.919	-1.298	-1.174

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2122	1.4799	1.4799	2.2285	2.2285	2.2285	2.2285
O2	1.2122		2.5881	2.5881	3.1966	3.1966	3.1966	3.1966
C3	1.4799	2.5881		1.5740	1.0960	1.0960	2.2997	2.2997
C4	1.4799	2.5881	1.5740		2.2997	2.2997	1.0960	1.0960
H5	2.2285	3.1966	1.0960	2.2997		1.8387	3.1820	2.5969
H6	2.2285	3.1966	1.0960	2.2997	1.8387		2.5969	3.1820
H7	2.2285	3.1966	2.2997	1.0960	3.1820	2.5969		1.8387
H8	2.2285	3.1966	2.2997	1.0960	2.5969	3.1820	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.874	C1	C3	H5	119.042
C1	C3	H6	119.042	C1	C4	C3	57.874
C1	C4	H7	119.042	C1	C4	H8	119.042
O2	C1	C3	147.874	O2	C1	C4	147.874
C3	C1	C4	64.251	C3	C4	H7	117.819
C3	C4	H8	117.819	C4	C3	H5	117.819
C4	C3	H6	117.819	H5	C3	H6	114.042
H7	C4	H8	114.042

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: PBEPBE/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	0.359
2	O	-0.368
3	C	-0.314
4	C	-0.314
5	H	0.159
6	H	0.159
7	H	0.159
8	H	0.159

	x	y	z	Total
	0.000	0.000	-2.669	2.669
CHELPG
AIM
ESP

<r²>	68.180
(<r²>)^1/2	8.257

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)