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	hartrees
Energy at 0K	-189.318031
Energy at 298.15K	-189.321926
HF Energy	-189.318031
Nuclear repulsion energy	104.903045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3017	7.41
2	A₁	1904	1761	47.33
3	A₁	1529	1414	2.12
4	A₁	1136	1051	4.84
5	A₁	1066	986	4.20
6	A₁	759	702	0.27
7	A₂	3401	3147	0.00
8	A₂	1220	1128	0.00
9	A₂	711	658	0.00
10	B₁	3409	3154	0.42
11	B₁	1112	1029	0.23
12	B₁	763	706	1.16
13	B₁	325	301	0.42
14	B₂	3259	3015	5.90
15	B₂	1525	1411	0.73
16	B₂	1132	1047	1.61
17	B₂	927	858	77.70
18	B₂	469	434	3.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.405
O2	0.000	0.000	1.663
C3	0.000	0.796	-0.904
C4	0.000	-0.796	-0.904
H5	0.928	1.306	-1.223
H6	-0.928	1.306	-1.223
H7	-0.928	-1.306	-1.223
H8	0.928	-1.306	-1.223

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2576	1.5318	1.5318	2.2844	2.2844	2.2844	2.2844
O2	1.2576		2.6870	2.6870	3.3010	3.3010	3.3010	3.3010
C3	1.5318	2.6870		1.5916	1.1059	1.1059	2.3194	2.3194
C4	1.5318	2.6870	1.5916		2.3194	2.3194	1.1059	1.1059
H5	2.2844	3.3010	1.1059	2.3194		1.8552	3.2036	2.6118
H6	2.2844	3.3010	1.1059	2.3194	1.8552		2.6118	3.2036
H7	2.2844	3.3010	2.3194	1.1059	3.2036	2.6118		1.8552
H8	2.2844	3.3010	2.3194	1.1059	2.6118	3.2036	1.8552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	58.700	C1	C3	H5	119.130
C1	C3	H6	119.130	C1	C4	C3	58.700
C1	C4	H7	119.130	C1	C4	H8	119.130
O2	C1	C3	148.700	O2	C1	C4	148.700
C3	C1	C4	62.600	C3	C4	H7	117.470
C3	C4	H8	117.470	C4	C3	H5	117.470
C4	C3	H6	117.470	H5	C3	H6	114.024
H7	C4	H8	114.024

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/STO-3G

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	0.134
2	O	-0.131
3	C	-0.177
4	C	-0.177
5	H	0.088
6	H	0.088
7	H	0.088
8	H	0.088

	x	y	z	Total
	0.000	0.000	-1.411	1.411
CHELPG
AIM
ESP

<r²>	70.545
(<r²>)^1/2	8.399

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)