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	hartrees
Energy at 0K	-191.232016
Energy at 298.15K	-191.236290
HF Energy	-190.725513
Nuclear repulsion energy	109.061396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3003	0.81
2	A₁	2059	1906	291.33
3	A₁	1532	1418	2.15
4	A₁	1118	1035	0.01
5	A₁	1113	1030	25.30
6	A₁	772	715	6.60
7	A₂	3323	3076	0.00
8	A₂	1231	1140	0.00
9	A₂	699	647	0.00
10	B₁	3334	3087	3.20
11	B₁	1174	1087	0.36
12	B₁	750	695	0.93
13	B₁	348	322	6.43
14	B₂	3240	2999	2.27
15	B₂	1508	1396	5.35
16	B₂	1162	1076	20.54
17	B₂	1044	966	117.56
18	B₂	533	493	3.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.579
C3	0.000	-0.780	-0.858
C4	0.000	0.780	-0.858
H5	-0.911	-1.282	-1.159
H6	0.911	-1.282	-1.159
H7	0.911	1.282	-1.159
H8	-0.911	1.282	-1.159

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1961	1.4659	1.4659	2.2026	2.2026	2.2026	2.2026
O2	1.1961		2.5589	2.5589	3.1578	3.1578	3.1578	3.1578
C3	1.4659	2.5589		1.5608	1.0826	1.0826	2.2744	2.2744
C4	1.4659	2.5589	1.5608		2.2744	2.2744	1.0826	1.0826
H5	2.2026	3.1578	1.0826	2.2744		1.8220	3.1449	2.5634
H6	2.2026	3.1578	1.0826	2.2744	1.8220		2.5634	3.1449
H7	2.2026	3.1578	2.2744	1.0826	3.1449	2.5634		1.8220
H8	2.2026	3.1578	2.2744	1.0826	2.5634	3.1449	1.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.834	C1	C3	H5	118.830
C1	C3	H6	118.830	C1	C4	C3	57.834
C1	C4	H7	118.830	C1	C4	H8	118.830
O2	C1	C3	147.834	O2	C1	C4	147.834
C3	C1	C4	64.331	C3	C4	H7	117.583
C3	C4	H8	117.583	C4	C3	H5	117.583
C4	C3	H6	117.583	H5	C3	H6	114.590
H7	C4	H8	114.590

All results from a given calculation for C₃H₄O (Cyclopropanone)

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

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)