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	hartrees
Energy at 0K	-188.294742
Energy at 298.15K	-188.299150
HF Energy	-188.294742
Nuclear repulsion energy	108.470073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3643	2974	8.00
2	A₁	2310	1886	47.51
3	A₁	1743	1423	0.27
4	A₁	1382	1128	0.64
5	A₁	1259	1028	0.14
6	A₁	921	752	3.94
7	A₂	3789	3093	0.00
8	A₂	1393	1137	0.00
9	A₂	869	710	0.00
10	B₁	3793	3097	3.25
11	B₁	1299	1061	0.00
12	B₁	881	720	0.39
13	B₁	424	346	2.70
14	B₂	3634	2967	13.73
15	B₂	1722	1406	0.57
16	B₂	1387	1133	10.31
17	B₂	1180	964	64.08
18	B₂	555	454	15.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.392
O2	0.000	0.000	1.601
C3	0.000	0.771	-0.871
C4	0.000	-0.771	-0.871
H5	0.907	1.275	-1.179
H6	-0.907	1.275	-1.179
H7	-0.907	-1.275	-1.179
H8	0.907	-1.275	-1.179

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2087	1.4798	1.4798	2.2171	2.2171	2.2171	2.2171
O2	1.2087		2.5892	2.5892	3.1898	3.1898	3.1898	3.1898
C3	1.4798	2.5892		1.5419	1.0822	1.0822	2.2587	2.2587
C4	1.4798	2.5892	1.5419		2.2587	2.2587	1.0822	1.0822
H5	2.2171	3.1898	1.0822	2.2587		1.8139	3.1288	2.5493
H6	2.2171	3.1898	1.0822	2.2587	1.8139		2.5493	3.1288
H7	2.2171	3.1898	2.2587	1.0822	3.1288	2.5493		1.8139
H8	2.2171	3.1898	2.2587	1.0822	2.5493	3.1288	1.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	58.602	C1	C3	H5	119.040
C1	C3	H6	119.040	C1	C4	C3	58.602
C1	C4	H7	119.040	C1	C4	H8	119.040
O2	C1	C3	148.602	O2	C1	C4	148.602
C3	C1	C4	62.795	C3	C4	H7	117.740
C3	C4	H8	117.740	C4	C3	H5	117.740
C4	C3	H6	117.740	H5	C3	H6	113.872
H7	C4	H8	113.872

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/STO-3G

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	0.200
2	O	-0.196
3	C	-0.163
4	C	-0.163
5	H	0.081
6	H	0.081
7	H	0.081
8	H	0.081

	x	y	z	Total
	0.000	0.000	-1.755	1.755
CHELPG
AIM
ESP

<r²>	67.114
(<r²>)^1/2	8.192

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)