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	hartrees
Energy at 0K	-34.319020
Energy at 298.15K	-34.323394
HF Energy	-34.319020
Nuclear repulsion energy	57.574626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3001	0.10
2	A₁	2029	1829	312.06
3	A₁	1587	1431	1.41
4	A₁	1184	1067	20.97
5	A₁	1124	1013	0.57
6	A₁	757	682	25.70
7	A₂	3423	3085	0.00
8	A₂	1265	1140	0.00
9	A₂	795	717	0.00
10	B₁	3437	3099	30.22
11	B₁	1228	1107	0.68
12	B₁	780	703	3.47
13	B₁	372	336	10.55
14	B₂	3322	2994	11.48
15	B₂	1564	1410	11.02
16	B₂	1229	1108	3.67
17	B₂	1106	997	152.19
18	B₂	516	465	8.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.624
C3	0.000	0.795	-0.849
C4	0.000	-0.795	-0.849
H5	0.909	1.296	-1.146
H6	-0.909	1.296	-1.146
H7	-0.909	-1.296	-1.146
H8	0.909	-1.296	-1.146

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2167	1.4873	1.4873	2.2178	2.2178	2.2178	2.2178
O2	1.2167		2.5983	2.5983	3.1904	3.1904	3.1904	3.1904
C3	1.4873	2.5983		1.5899	1.0795	1.0795	2.2991	2.2991
C4	1.4873	2.5983	1.5899		2.2991	2.2991	1.0795	1.0795
H5	2.2178	3.1904	1.0795	2.2991		1.8183	3.1659	2.5917
H6	2.2178	3.1904	1.0795	2.2991	1.8183		2.5917	3.1659
H7	2.2178	3.1904	2.2991	1.0795	3.1659	2.5917		1.8183
H8	2.2178	3.1904	2.2991	1.0795	2.5917	3.1659	1.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.690	C1	C3	H5	118.687
C1	C3	H6	118.687	C1	C4	C3	57.690
C1	C4	H7	118.687	C1	C4	H8	118.687
O2	C1	C3	147.690	O2	C1	C4	147.690
C3	C1	C4	64.620	C3	C4	H7	117.645
C3	C4	H8	117.645	C4	C3	H5	117.645
C4	C3	H6	117.645	H5	C3	H6	114.752
H7	C4	H8	114.752

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/CEP-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	0.055
2	O	-0.133
3	C	-0.300
4	C	-0.300
5	H	0.170
6	H	0.170
7	H	0.170
8	H	0.170

	x	y	z	Total
	0.000	0.000	-3.722	3.722
CHELPG
AIM
ESP

<r²>	58.278
(<r²>)^1/2	7.634

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)