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	hartrees
Energy at 0K	-191.666510
Energy at 298.15K	-191.670501
HF Energy	-191.666510
Nuclear repulsion energy	108.117058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	3023	0.73
2	A₁	1903	1884	267.44
3	A₁	1375	1360	5.54
4	A₁	1042	1031	0.84
5	A₁	977	967	25.14
6	A₁	727	720	2.49
7	A₂	3136	3103	0.00
8	A₂	1130	1118	0.00
9	A₂	581	575	0.00
10	B₁	3149	3117	1.31
11	B₁	1064	1053	0.19
12	B₁	677	670	1.64
13	B₁	304	301	3.30
14	B₂	3055	3023	2.40
15	B₂	1362	1348	4.34
16	B₂	1020	1010	20.18
17	B₂	909	899	98.03
18	B₂	497	492	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.388
O2	0.000	0.000	1.593
C3	0.000	0.786	-0.865
C4	0.000	-0.786	-0.865
H5	0.919	1.296	-1.172
H6	-0.919	1.296	-1.172
H7	-0.919	-1.296	-1.172
H8	0.919	-1.296	-1.172

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2051	1.4787	1.4787	2.2261	2.2261	2.2261	2.2261
O2	1.2051		2.5801	2.5801	3.1885	3.1885	3.1885	3.1885
C3	1.4787	2.5801		1.5724	1.0946	1.0946	2.2963	2.2963
C4	1.4787	2.5801	1.5724		2.2963	2.2963	1.0946	1.0946
H5	2.2261	3.1885	1.0946	2.2963		1.8373	3.1769	2.5916
H6	2.2261	3.1885	1.0946	2.2963	1.8373		2.5916	3.1769
H7	2.2261	3.1885	2.2963	1.0946	3.1769	2.5916		1.8373
H8	2.2261	3.1885	2.2963	1.0946	2.5916	3.1769	1.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.882	C1	C3	H5	119.030
C1	C3	H6	119.030	C1	C4	C3	57.882
C1	C4	H7	119.030	C1	C4	H8	119.030
O2	C1	C3	147.882	O2	C1	C4	147.882
C3	C1	C4	64.237	C3	C4	H7	117.750
C3	C4	H8	117.750	C4	C3	H5	117.750
C4	C3	H6	117.750	H5	C3	H6	114.133
H7	C4	H8	114.133

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.413
2	O	-0.247
3	C	-0.393
4	C	-0.393
5	H	0.155
6	H	0.155
7	H	0.155
8	H	0.155

	x	y	z	Total
	0.000	0.000	-2.584	2.584
CHELPG
AIM
ESP

<r²>	67.927
(<r²>)^1/2	8.242

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)