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	hartrees
Energy at 0K	-191.387418
Energy at 298.15K	-191.391586
HF Energy	-190.765021
Nuclear repulsion energy	108.360133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2997	0.11
2	A₁	1955	1872	262.83
3	A₁	1471	1409	3.21
4	A₁	1063	1018	3.93
5	A₁	1050	1006	24.48
6	A₁	732	701	5.53
7	A₂	3213	3076	0.00
8	A₂	1184	1134	0.00
9	A₂	670	641	0.00
10	B₁	3225	3088	6.63
11	B₁	1128	1080	0.06
12	B₁	722	691	0.95
13	B₁	330	316	3.83
14	B₂	3127	2994	4.39
15	B₂	1449	1388	7.70
16	B₂	1096	1050	17.66
17	B₂	981	939	112.87
18	B₂	513	492	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.388
O2	0.000	0.000	1.587
C3	0.000	0.788	-0.863
C4	0.000	-0.788	-0.863
H5	0.917	1.289	-1.168
H6	-0.917	1.289	-1.168
H7	-0.917	-1.289	-1.168
H8	0.917	-1.289	-1.168

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1990	1.4788	1.4788	2.2193	2.2193	2.2193	2.2193
O2	1.1990		2.5740	2.5740	3.1774	3.1774	3.1774	3.1774
C3	1.4788	2.5740		1.5759	1.0885	1.0885	2.2905	2.2905
C4	1.4788	2.5740	1.5759		2.2905	2.2905	1.0885	1.0885
H5	2.2193	3.1774	1.0885	2.2905		1.8341	3.1632	2.5772
H6	2.2193	3.1774	1.0885	2.2905	1.8341		2.5772	3.1632
H7	2.2193	3.1774	2.2905	1.0885	3.1632	2.5772		1.8341
H8	2.2193	3.1774	2.2905	1.0885	2.5772	3.1632	1.8341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.804	C1	C3	H5	118.846
C1	C3	H6	118.846	C1	C4	C3	57.804
C1	C4	H7	118.846	C1	C4	H8	118.846
O2	C1	C3	147.804	O2	C1	C4	147.804
C3	C1	C4	64.392	C3	C4	H7	117.381
C3	C4	H8	117.381	C4	C3	H5	117.381
C4	C3	H6	117.381	H5	C3	H6	114.807
H7	C4	H8	114.807

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)