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	hartrees
Energy at 0K	-191.884603
Energy at 298.15K	-191.888743
HF Energy	-191.884603
Nuclear repulsion energy	109.162264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	3002	0.89
2	A₁	1985	1899	337.75
3	A₁	1436	1373	5.84
4	A₁	1080	1034	0.97
5	A₁	1022	978	32.25
6	A₁	749	717	6.05
7	A₂	3220	3080	0.00
8	A₂	1169	1119	0.00
9	A₂	626	599	0.00
10	B₁	3232	3092	2.29
11	B₁	1110	1062	0.30
12	B₁	708	677	1.56
13	B₁	325	311	4.12
14	B₂	3137	3001	2.33
15	B₂	1414	1353	8.60
16	B₂	1073	1027	22.14
17	B₂	965	923	118.09
18	B₂	518	495	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
O2	0.000	0.000	1.575
C3	0.000	0.781	-0.856
C4	0.000	-0.781	-0.856
H5	0.913	1.284	-1.157
H6	-0.913	1.284	-1.157
H7	-0.913	-1.284	-1.157
H8	0.913	-1.284	-1.157

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1910	1.4655	1.4655	2.2038	2.2038	2.2038	2.2038
O2	1.1910		2.5534	2.5534	3.1538	3.1538	3.1538	3.1538
C3	1.4655	2.5534		1.5620	1.0847	1.0847	2.2775	2.2775
C4	1.4655	2.5534	1.5620		2.2775	2.2775	1.0847	1.0847
H5	2.2038	3.1538	1.0847	2.2775		1.8256	3.1504	2.5675
H6	2.2038	3.1538	1.0847	2.2775	1.8256		2.5675	3.1504
H7	2.2038	3.1538	2.2775	1.0847	3.1504	2.5675		1.8256
H8	2.2038	3.1538	2.2775	1.0847	2.5675	3.1504	1.8256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.797	C1	C3	H5	118.813
C1	C3	H6	118.813	C1	C4	C3	57.797
C1	C4	H7	118.813	C1	C4	H8	118.813
O2	C1	C3	147.797	O2	C1	C4	147.797
C3	C1	C4	64.406	C3	C4	H7	117.613
C3	C4	H8	117.613	C4	C3	H5	117.613
C4	C3	H6	117.613	H5	C3	H6	114.592
H7	C4	H8	114.592

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: mPW1PW91/6-311G**

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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Number	Element	Mulliken
1	C	0.231
2	O	-0.271
3	C	-0.308
4	C	-0.308
5	H	0.164
6	H	0.164
7	H	0.164
8	H	0.164

	x	y	z	Total
	0.000	0.000	-2.797	2.797
CHELPG
AIM
ESP

<r²>	67.071
(<r²>)^1/2	8.190

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)