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	hartrees
Energy at 0K	-191.525044
Energy at 298.15K	-191.529133
HF Energy	-190.796450
Nuclear repulsion energy	108.735406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3016	1.71
2	A₁	1901	1811	268.22
3	A₁	1443	1375	3.02
4	A₁	1058	1009	4.69
5	A₁	1000	953	21.20
6	A₁	732	697	2.12
7	A₂	3257	3104	0.00
8	A₂	1166	1111	0.00
9	A₂	622	593	0.00
10	B₁	3269	3115	0.10
11	B₁	1105	1053	0.00
12	B₁	696	663	0.70
13	B₁	302	288	3.72
14	B₂	3163	3014	0.44
15	B₂	1424	1357	5.65
16	B₂	1063	1013	19.00
17	B₂	958	913	88.71
18	B₂	511	487	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.682
C3	0.000	0.803	-0.842
C4	0.000	-0.803	-0.842
H5	0.808	0.725	-1.448
H6	-0.808	0.725	-1.448
H7	-0.808	-0.725	-1.448
H8	0.808	-0.725	-1.448

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2741	1.4858	1.4858	2.1502	2.1502	2.1502	2.1502
O2	1.2741		2.6488	2.6488	3.3130	3.3130	3.3130	3.3130
C3	1.4858	2.6488		1.6064	1.0130	1.0130	1.8321	1.8321
C4	1.4858	2.6488	1.6064		1.8321	1.8321	1.0130	1.0130
H5	2.1502	3.3130	1.0130	1.8321		1.6163	2.1719	1.4508
H6	2.1502	3.3130	1.0130	1.8321	1.6163		1.4508	2.1719
H7	2.1502	3.3130	1.8321	1.0130	2.1719	1.4508		1.6163
H8	2.1502	3.3130	1.8321	1.0130	1.4508	2.1719	1.6163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.277	C1	C3	H5	117.495
C1	C3	H6	117.495	C1	C4	C3	57.277
C1	C4	H7	117.495	C1	C4	H8	117.495
O2	C1	C3	147.277	O2	C1	C4	147.277
C3	C1	C4	65.446	C3	C4	H7	85.596
C3	C4	H8	85.596	C4	C3	H5	85.596
C4	C3	H6	85.596	H5	C3	H6	105.829
H7	C4	H8	105.829

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)