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	hartrees
Energy at 0K	-191.809569
Energy at 298.15K	-191.813684
HF Energy	-191.809569
Nuclear repulsion energy	108.934965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3007	1.12
2	A₁	1993	1903	297.12
3	A₁	1440	1375	4.55
4	A₁	1086	1037	0.35
5	A₁	1031	984	29.45
6	A₁	755	721	4.83
7	A₂	3232	3086	0.00
8	A₂	1169	1116	0.00
9	A₂	621	593	0.00
10	B₁	3244	3097	1.69
11	B₁	1105	1055	0.52
12	B₁	705	673	1.89
13	B₁	320	305	4.77
14	B₂	3149	3006	1.74
15	B₂	1419	1355	5.63
16	B₂	1084	1035	29.42
17	B₂	973	929	105.31
18	B₂	512	489	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.582
C3	0.000	0.779	-0.859
C4	0.000	-0.779	-0.859
H5	0.913	1.285	-1.161
H6	-0.913	1.285	-1.161
H7	-0.913	-1.285	-1.161
H8	0.913	-1.285	-1.161

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1989	1.4659	1.4659	2.2061	2.2061	2.2061	2.2061
O2	1.1989		2.5619	2.5619	3.1632	3.1632	3.1632	3.1632
C3	1.4659	2.5619		1.5590	1.0860	1.0860	2.2772	2.2772
C4	1.4659	2.5619	1.5590		2.2772	2.2772	1.0860	1.0860
H5	2.2061	3.1632	1.0860	2.2772		1.8251	3.1518	2.5697
H6	2.2061	3.1632	1.0860	2.2772	1.8251		2.5697	3.1518
H7	2.2061	3.1632	2.2772	1.0860	3.1518	2.5697		1.8251
H8	2.2061	3.1632	2.2772	1.0860	2.5697	3.1518	1.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.877	C1	C3	H5	118.892
C1	C3	H6	118.892	C1	C4	C3	57.877
C1	C4	H7	118.892	C1	C4	H8	118.892
O2	C1	C3	147.877	O2	C1	C4	147.877
C3	C1	C4	64.246	C3	C4	H7	117.729
C3	C4	H8	117.729	C4	C3	H5	117.729
C4	C3	H6	117.729	H5	C3	H6	114.333
H7	C4	H8	114.333

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B1B95/6-31G**

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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Number	Element	Mulliken
1	C	0.389
2	O	-0.396
3	C	-0.325
4	C	-0.325
5	H	0.164
6	H	0.164
7	H	0.164
8	H	0.164

	x	y	z	Total
	0.000	0.000	-2.793	2.793
CHELPG
AIM
ESP

<r²>	67.083
(<r²>)^1/2	8.190

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)