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	hartrees
Energy at 0K	-190.071268
Energy at 298.15K	-190.075526
HF Energy	-189.649259
Nuclear repulsion energy	106.762585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3045	0.04
2	A₁	1835	1779	132.34
3	A₁	1502	1456	4.98
4	A₁	1106	1072	41.61
5	A₁	963	934	0.07
6	A₁	674	654	2.86
7	A₂	3221	3122	0.00
8	A₂	1185	1148	0.00
9	A₂	737	714	0.00
10	B₁	3235	3135	3.40
11	B₁	1149	1114	0.07
12	B₁	746	723	1.83
13	B₁	407	394	2.37
14	B₂	3138	3041	1.83
15	B₂	1489	1443	6.12
16	B₂	1131	1096	0.65
17	B₂	976	946	144.86
18	B₂	508	492	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.389
O2	0.000	0.000	1.617
C3	0.000	0.803	-0.877
C4	0.000	-0.803	-0.877
H5	0.920	1.296	-1.186
H6	-0.920	1.296	-1.186
H7	-0.920	-1.296	-1.186
H8	0.920	-1.296	-1.186

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2279	1.4992	1.4992	2.2370	2.2370	2.2370	2.2370
O2	1.2279		2.6199	2.6199	3.2216	3.2216	3.2216	3.2216
C3	1.4992	2.6199		1.6065	1.0882	1.0882	2.3124	2.3124
C4	1.4992	2.6199	1.6065		2.3124	2.3124	1.0882	1.0882
H5	2.2370	3.2216	1.0882	2.3124		1.8401	3.1781	2.5913
H6	2.2370	3.2216	1.0882	2.3124	1.8401		2.5913	3.1781
H7	2.2370	3.2216	2.3124	1.0882	3.1781	2.5913		1.8401
H8	2.2370	3.2216	2.3124	1.0882	2.5913	3.1781	1.8401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.602	C1	C3	H5	118.809
C1	C3	H6	118.809	C1	C4	C3	57.602
C1	C4	H7	118.809	C1	C4	H8	118.809
O2	C1	C3	147.602	O2	C1	C4	147.602
C3	C1	C4	64.795	C3	C4	H7	116.903
C3	C4	H8	116.903	C4	C3	H5	116.903
C4	C3	H6	116.903	H5	C3	H6	115.446
H7	C4	H8	115.446

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)