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	hartrees
Energy at 0K	-191.820499
Energy at 298.15K	-191.824678
HF Energy	-191.820499
Nuclear repulsion energy	107.717009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3027	0.73
2	A₁	1882	1810	238.41
3	A₁	1476	1419	6.42
4	A₁	1078	1037	38.81
5	A₁	1048	1008	2.07
6	A₁	709	682	5.18
7	A₂	3225	3102	0.00
8	A₂	1182	1137	0.00
9	A₂	725	698	0.00
10	B₁	3238	3115	5.15
11	B₁	1125	1082	0.46
12	B₁	734	706	2.33
13	B₁	328	315	4.49
14	B₂	3144	3025	1.57
15	B₂	1466	1411	8.41
16	B₂	1119	1076	1.77
17	B₂	1015	977	150.00
18	B₂	497	478	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.379
O2	0.000	0.000	1.603
C3	0.000	0.791	-0.868
C4	0.000	-0.791	-0.868
H5	0.911	1.300	-1.172
H6	-0.911	1.300	-1.172
H7	-0.911	-1.300	-1.172
H8	0.911	-1.300	-1.172

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2242	1.4765	1.4765	2.2196	2.2196	2.2196	2.2196
O2	1.2242		2.5945	2.5945	3.1975	3.1975	3.1975	3.1975
C3	1.4765	2.5945		1.5818	1.0872	1.0872	2.3010	2.3010
C4	1.4765	2.5945	1.5818		2.3010	2.3010	1.0872	1.0872
H5	2.2196	3.1975	1.0872	2.3010		1.8222	3.1749	2.5999
H6	2.2196	3.1975	1.0872	2.3010	1.8222		2.5999	3.1749
H7	2.2196	3.1975	2.3010	1.0872	3.1749	2.5999		1.8222
H8	2.2196	3.1975	2.3010	1.0872	2.5999	3.1749	1.8222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.612	C1	C3	H5	119.166
C1	C3	H6	119.166	C1	C4	C3	57.612
C1	C4	H7	119.166	C1	C4	H8	119.166
O2	C1	C3	147.612	O2	C1	C4	147.612
C3	C1	C4	64.777	C3	C4	H7	117.918
C3	C4	H8	117.918	C4	C3	H5	117.918
C4	C3	H6	117.918	H5	C3	H6	113.867
H7	C4	H8	113.867

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/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	0.280
2	O	-0.358
3	C	-0.325
4	C	-0.325
5	H	0.182
6	H	0.182
7	H	0.182
8	H	0.182

	x	y	z	Total
	0.000	0.000	-3.053	3.053
CHELPG
AIM
ESP

<r²>	68.644
(<r²>)^1/2	8.285

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)