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	hartrees
Energy at 0K	-190.052048
Energy at 298.15K	-190.056337
HF Energy	-189.649456
Nuclear repulsion energy	106.916100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3048	0.35
2	A₁	1808	1726	119.24
3	A₁	1522	1453	6.27
4	A₁	1118	1068	49.08
5	A₁	976	932	0.30
6	A₁	692	661	1.36
7	A₂	3276	3128	0.00
8	A₂	1203	1148	0.00
9	A₂	735	702	0.00
10	B₁	3290	3141	1.68
11	B₁	1161	1108	0.14
12	B₁	754	719	2.05
13	B₁	409	391	1.90
14	B₂	3188	3044	0.69
15	B₂	1510	1442	6.18
16	B₂	1139	1088	1.00
17	B₂	972	928	153.58
18	B₂	519	496	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.617
C3	0.000	0.801	-0.875
C4	0.000	-0.801	-0.875
H5	0.917	1.291	-1.185
H6	-0.917	1.291	-1.185
H7	-0.917	-1.291	-1.185
H8	0.917	-1.291	-1.185

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2320	1.4935	1.4935	2.2301	2.2301	2.2301	2.2301
O2	1.2320		2.6180	2.6180	3.2187	3.2187	3.2187	3.2187
C3	1.4935	2.6180		1.6025	1.0848	1.0848	2.3053	2.3053
C4	1.4935	2.6180	1.6025		2.3053	2.3053	1.0848	1.0848
H5	2.2301	3.2187	1.0848	2.3053		1.8338	3.1671	2.5822
H6	2.2301	3.2187	1.0848	2.3053	1.8338		2.5822	3.1671
H7	2.2301	3.2187	2.3053	1.0848	3.1671	2.5822		1.8338
H8	2.2301	3.2187	2.3053	1.0848	2.5822	3.1671	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.555	C1	C3	H5	118.907
C1	C3	H6	118.907	C1	C4	C3	57.555
C1	C4	H7	118.907	C1	C4	H8	118.907
O2	C1	C3	147.555	O2	C1	C4	147.555
C3	C1	C4	64.889	C3	C4	H7	116.845
C3	C4	H8	116.845	C4	C3	H5	116.845
C4	C3	H6	116.845	H5	C3	H6	115.397
H7	C4	H8	115.397

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)