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	hartrees
Energy at 0K	-191.666993
Energy at 298.15K	-191.670959
HF Energy	-191.666993
Nuclear repulsion energy	107.823905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	3022	1.23
2	A₁	1877	1856	339.35
3	A₁	1385	1369	6.28
4	A₁	1039	1027	2.75
5	A₁	976	965	36.14
6	A₁	713	705	3.11
7	A₂	3138	3102	0.00
8	A₂	1124	1112	0.00
9	A₂	605	598	0.00
10	B₁	3150	3114	1.11
11	B₁	1064	1052	0.23
12	B₁	683	676	2.40
13	B₁	282	278	4.22
14	B₂	3057	3023	2.86
15	B₂	1367	1351	7.31
16	B₂	1027	1015	18.81
17	B₂	926	915	101.35
18	B₂	485	480	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.598
C3	0.000	0.789	-0.866
C4	0.000	-0.789	-0.866
H5	0.921	1.300	-1.172
H6	-0.921	1.300	-1.172
H7	-0.921	-1.300	-1.172
H8	0.921	-1.300	-1.172

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2145	1.4774	1.4774	2.2263	2.2263	2.2263	2.2263
O2	1.2145		2.5868	2.5868	3.1952	3.1952	3.1952	3.1952
C3	1.4774	2.5868		1.5787	1.0965	1.0965	2.3035	2.3035
C4	1.4774	2.5868	1.5787		2.3035	2.3035	1.0965	1.0965
H5	2.2263	3.1952	1.0965	2.3035		1.8415	3.1857	2.5995
H6	2.2263	3.1952	1.0965	2.3035	1.8415		2.5995	3.1857
H7	2.2263	3.1952	2.3035	1.0965	3.1857	2.5995		1.8415
H8	2.2263	3.1952	2.3035	1.0965	2.5995	3.1857	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.704	C1	C3	H5	119.013
C1	C3	H6	119.013	C1	C4	C3	57.704
C1	C4	H7	119.013	C1	C4	H8	119.013
O2	C1	C3	147.704	O2	C1	C4	147.704
C3	C1	C4	64.592	C3	C4	H7	117.741
C3	C4	H8	117.741	C4	C3	H5	117.741
C4	C3	H6	117.741	H5	C3	H6	114.227
H7	C4	H8	114.227

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: PBEPBE/6-31+G**

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	0.116
2	O	-0.410
3	C	-0.246
4	C	-0.246
5	H	0.197
6	H	0.197
7	H	0.197
8	H	0.197

	x	y	z	Total
	0.000	0.000	-2.999	2.999
CHELPG
AIM
ESP

<r²>	68.732
(<r²>)^1/2	8.290

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)