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	hartrees
Energy at 0K	-190.747845
Energy at 298.15K	-190.752223
HF Energy	-190.747845
Nuclear repulsion energy	109.976461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	2961	0.20
2	A₁	2147	1944	393.84
3	A₁	1568	1420	0.93
4	A₁	1150	1041	14.31
5	A₁	1130	1023	0.03
6	A₁	788	713	8.96
7	A₂	3349	3033	0.00
8	A₂	1268	1148	0.00
9	A₂	696	630	0.00
10	B₁	3362	3045	5.81
11	B₁	1215	1100	0.43
12	B₁	756	684	0.39
13	B₁	388	351	8.71
14	B₂	3266	2957	5.39
15	B₂	1545	1399	3.78
16	B₂	1197	1084	17.04
17	B₂	1051	952	122.97
18	B₂	556	504	4.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
O2	0.000	0.000	1.559
C3	0.000	0.779	-0.850
C4	0.000	-0.779	-0.850
H5	0.907	1.277	-1.148
H6	-0.907	1.277	-1.148
H7	-0.907	-1.277	-1.148
H8	0.907	-1.277	-1.148

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1717	1.4619	1.4619	2.1929	2.1929	2.1929	2.1929
O2	1.1717		2.5316	2.5316	3.1271	3.1271	3.1271	3.1271
C3	1.4619	2.5316		1.5580	1.0767	1.0767	2.2665	2.2665
C4	1.4619	2.5316	1.5580		2.2665	2.2665	1.0767	1.0767
H5	2.1929	3.1271	1.0767	2.2665		1.8142	3.1321	2.5531
H6	2.1929	3.1271	1.0767	2.2665	1.8142		2.5531	3.1321
H7	2.1929	3.1271	2.2665	1.0767	3.1321	2.5531		1.8142
H8	2.1929	3.1271	2.2665	1.0767	2.5531	3.1321	1.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.801	C1	C3	H5	118.713
C1	C3	H6	118.713	C1	C4	C3	57.801
C1	C4	H7	118.713	C1	C4	H8	118.713
O2	C1	C3	147.801	O2	C1	C4	147.801
C3	C1	C4	64.398	C3	C4	H7	117.525
C3	C4	H8	117.525	C4	C3	H5	117.525
C4	C3	H6	117.525	H5	C3	H6	114.817
H7	C4	H8	114.817

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	0.492
2	O	-0.367
3	C	-0.415
4	C	-0.415
5	H	0.176
6	H	0.176
7	H	0.176
8	H	0.176

	x	y	z	Total
	0.000	0.000	-3.046	3.046
CHELPG
AIM
ESP

<r²>	66.378
(<r²>)^1/2	8.147

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)