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	hartrees
Energy at 0K	-191.423512
Energy at 298.15K	-191.427658
HF Energy	-190.745964
Nuclear repulsion energy	108.704163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3014	1.67
2	A₁	1941	1834	216.21
3	A₁	1450	1369	3.80
4	A₁	1072	1012	2.19
5	A₁	1031	974	25.62
6	A₁	753	711	2.25
7	A₂	3286	3104	0.00
8	A₂	1183	1117	0.00
9	A₂	622	588	0.00
10	B₁	3298	3115	0.00
11	B₁	1117	1055	0.14
12	B₁	709	670	1.07
13	B₁	329	311	3.74
14	B₂	3191	3014	0.11
15	B₂	1432	1352	4.36
16	B₂	1081	1021	16.25
17	B₂	966	912	103.24
18	B₂	524	495	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
O2	0.000	0.000	1.585
C3	0.000	0.784	-0.861
C4	0.000	-0.784	-0.861
H5	0.914	1.280	-1.164
H6	-0.914	1.280	-1.164
H7	-0.914	-1.280	-1.164
H8	0.914	-1.280	-1.164

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2007	1.4713	1.4713	2.2071	2.2071	2.2071	2.2071
O2	1.2007		2.5682	2.5682	3.1671	3.1671	3.1671	3.1671
C3	1.4713	2.5682		1.5686	1.0834	1.0834	2.2781	2.2781
C4	1.4713	2.5682	1.5686		2.2781	2.2781	1.0834	1.0834
H5	2.2071	3.1671	1.0834	2.2781		1.8286	3.1462	2.5602
H6	2.2071	3.1671	1.0834	2.2781	1.8286		2.5602	3.1462
H7	2.2071	3.1671	2.2781	1.0834	3.1462	2.5602		1.8286
H8	2.2071	3.1671	2.2781	1.0834	2.5602	3.1462	1.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.786	C1	C3	H5	118.738
C1	C3	H6	118.738	C1	C4	C3	57.786
C1	C4	H7	118.738	C1	C4	H8	118.738
O2	C1	C3	147.786	O2	C1	C4	147.786
C3	C1	C4	64.429	C3	C4	H7	117.233
C3	C4	H8	117.233	C4	C3	H5	117.233
C4	C3	H6	117.233	H5	C3	H6	115.115
H7	C4	H8	115.115

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)