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	hartrees
Energy at 0K	-35.207703
Energy at 298.15K	-35.211810
HF Energy	-35.207703
Nuclear repulsion energy	56.950546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3009	0.01
2	A₁	1818	1771	269.57
3	A₁	1442	1405	4.57
4	A₁	1051	1024	37.68
5	A₁	1020	994	0.83
6	A₁	684	667	7.68
7	A₂	3180	3099	0.00
8	A₂	1156	1127	0.00
9	A₂	710	692	0.00
10	B₁	3196	3114	15.32
11	B₁	1105	1077	0.06
12	B₁	713	694	2.45
13	B₁	303	295	4.04
14	B₂	3082	3004	6.77
15	B₂	1431	1394	7.91
16	B₂	1086	1058	2.57
17	B₂	977	952	142.36
18	B₂	476	464	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.407
O2	0.000	0.000	1.645
C3	0.000	0.803	-0.857
C4	0.000	-0.803	-0.857
H5	0.916	1.308	-1.160
H6	-0.916	1.308	-1.160
H7	-0.916	-1.308	-1.160
H8	0.916	-1.308	-1.160

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2388	1.4975	1.4975	2.2370	2.2370	2.2370	2.2370
O2	1.2388		2.6284	2.6284	3.2279	3.2279	3.2279	3.2279
C3	1.4975	2.6284		1.6058	1.0892	1.0892	2.3212	2.3212
C4	1.4975	2.6284	1.6058		2.3212	2.3212	1.0892	1.0892
H5	2.2370	3.2279	1.0892	2.3212		1.8326	3.1945	2.6166
H6	2.2370	3.2279	1.0892	2.3212	1.8326		2.6166	3.1945
H7	2.2370	3.2279	2.3212	1.0892	3.1945	2.6166		1.8326
H8	2.2370	3.2279	2.3212	1.0892	2.6166	3.1945	1.8326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.576	C1	C3	H5	118.879
C1	C3	H6	118.879	C1	C4	C3	57.576
C1	C4	H7	118.879	C1	C4	H8	118.879
O2	C1	C3	147.576	O2	C1	C4	147.576
C3	C1	C4	64.848	C3	C4	H7	117.645
C3	C4	H8	117.645	C4	C3	H5	117.645
C4	C3	H6	117.645	H5	C3	H6	114.550
H7	C4	H8	114.550

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/CEP-121G

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	0.054
2	O	-0.070
3	C	-0.355
4	C	-0.355
5	H	0.181
6	H	0.181
7	H	0.181
8	H	0.181

	x	y	z	Total
	0.000	0.000	-3.280	3.280
CHELPG
AIM
ESP

<r²>	58.933
(<r²>)^1/2	7.677

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)