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	hartrees
Energy at 0K	-190.753729
Energy at 298.15K	-190.757842
HF Energy	-190.753729
Nuclear repulsion energy	106.679793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	3046	0.26
2	A₁	1810	1800	175.68
3	A₁	1435	1427	9.04
4	A₁	1018	1013	50.15
5	A₁	959	953	0.59
6	A₁	667	663	1.45
7	A₂	3138	3121	0.00
8	A₂	1142	1136	0.00
9	A₂	663	659	0.00
10	B₁	3153	3136	3.83
11	B₁	1094	1088	0.22
12	B₁	702	698	2.67
13	B₁	383	380	1.59
14	B₂	3061	3044	2.04
15	B₂	1426	1419	7.05
16	B₂	1045	1039	0.11
17	B₂	912	907	148.86
18	B₂	494	491	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.389
O2	0.000	0.000	1.617
C3	0.000	0.802	-0.878
C4	0.000	-0.802	-0.878
H5	0.923	1.301	-1.186
H6	-0.923	1.301	-1.186
H7	-0.923	-1.301	-1.186
H8	0.923	-1.301	-1.186

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2278	1.4997	1.4997	2.2416	2.2416	2.2416	2.2416
O2	1.2278		2.6207	2.6207	3.2251	3.2251	3.2251	3.2251
C3	1.4997	2.6207		1.6046	1.0930	1.0930	2.3171	2.3171
C4	1.4997	2.6207	1.6046		2.3171	2.3171	1.0930	1.0930
H5	2.2416	3.2251	1.0930	2.3171		1.8452	3.1894	2.6014
H6	2.2416	3.2251	1.0930	2.3171	1.8452		2.6014	3.1894
H7	2.2416	3.2251	2.3171	1.0930	3.1894	2.6014		1.8452
H8	2.2416	3.2251	2.3171	1.0930	2.6014	3.1894	1.8452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.657	C1	C3	H5	118.836
C1	C3	H6	118.836	C1	C4	C3	57.657
C1	C4	H7	118.836	C1	C4	H8	118.836
O2	C1	C3	147.657	O2	C1	C4	147.657
C3	C1	C4	64.687	C3	C4	H7	117.127
C3	C4	H8	117.127	C4	C3	H5	117.127
C4	C3	H6	117.127	H5	C3	H6	115.150
H7	C4	H8	115.150

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/3-21G

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	0.298
2	O	-0.393
3	C	-0.388
4	C	-0.388
5	H	0.218
6	H	0.218
7	H	0.218
8	H	0.218

	x	y	z	Total
	0.000	0.000	-2.394	2.394
CHELPG
AIM
ESP

<r²>	69.562
(<r²>)^1/2	8.340

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)