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	hartrees
Energy at 0K	-191.590984
Energy at 298.15K	-191.595174
HF Energy	-190.795510
Nuclear repulsion energy	109.365402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3013	0.68
2	A₁	1988	1884	283.00
3	A₁	1472	1395	2.38
4	A₁	1080	1024	2.92
5	A₁	1046	992	20.27
6	A₁	746	707	4.19
7	A₂	3245	3077	0.00
8	A₂	1189	1127	0.00
9	A₂	648	614	0.00
10	B₁	3257	3088	1.74
11	B₁	1129	1071	0.01
12	B₁	717	680	0.54
13	B₁	331	314	4.11
14	B₂	3173	3009	1.87
15	B₂	1450	1375	5.91
16	B₂	1104	1046	20.26
17	B₂	996	944	98.92
18	B₂	521	494	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.678
C3	0.000	0.802	-0.841
C4	0.000	-0.802	-0.841
H5	0.807	0.725	-1.446
H6	-0.807	0.725	-1.446
H7	-0.807	-0.725	-1.446
H8	0.807	-0.725	-1.446

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2699	1.4846	1.4846	2.1486	2.1486	2.1486	2.1486
O2	1.2699		2.6437	2.6437	3.3074	3.3074	3.3074	3.3074
C3	1.4846	2.6437		1.6040	1.0118	1.0118	1.8306	1.8306
C4	1.4846	2.6437	1.6040		1.8306	1.8306	1.0118	1.0118
H5	2.1486	3.3074	1.0118	1.8306		1.6148	2.1709	1.4510
H6	2.1486	3.3074	1.0118	1.8306	1.6148		1.4510	2.1709
H7	2.1486	3.3074	1.8306	1.0118	2.1709	1.4510		1.6148
H8	2.1486	3.3074	1.8306	1.0118	1.4510	2.1709	1.6148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.302	C1	C3	H5	117.537
C1	C3	H6	117.537	C1	C4	C3	57.302
C1	C4	H7	117.537	C1	C4	H8	117.537
O2	C1	C3	147.302	O2	C1	C4	147.302
C3	C1	C4	65.397	C3	C4	H7	85.663
C3	C4	H8	85.663	C4	C3	H5	85.663
C4	C3	H6	85.663	H5	C3	H6	105.873
H7	C4	H8	105.873

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)