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	hartrees
Energy at 0K	-190.803772
Energy at 298.15K	-190.808136
HF Energy	-190.803772
Nuclear repulsion energy	110.140828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	2958	0.43
2	A₁	2124	1925	440.29
3	A₁	1566	1420	0.90
4	A₁	1142	1035	13.73
5	A₁	1121	1016	1.20
6	A₁	778	706	9.59
7	A₂	3341	3028	0.00
8	A₂	1263	1145	0.00
9	A₂	704	638	0.00
10	B₁	3355	3041	5.86
11	B₁	1214	1101	0.23
12	B₁	755	684	0.34
13	B₁	376	341	8.17
14	B₂	3260	2955	5.37
15	B₂	1544	1399	5.74
16	B₂	1194	1082	15.83
17	B₂	1055	956	118.96
18	B₂	553	501	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.410
O2	0.000	0.000	1.672
C3	0.000	0.801	-0.839
C4	0.000	-0.801	-0.839
H5	0.806	0.724	-1.443
H6	-0.806	0.724	-1.443
H7	-0.806	-0.724	-1.443
H8	0.806	-0.724	-1.443

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2620	1.4832	1.4832	2.1463	2.1463	2.1463	2.1463
O2	1.2620		2.6352	2.6352	3.2977	3.2977	3.2977	3.2977
C3	1.4832	2.6352		1.6016	1.0103	1.0103	1.8279	1.8279
C4	1.4832	2.6352	1.6016		1.8279	1.8279	1.0103	1.0103
H5	2.1463	3.2977	1.0103	1.8279		1.6126	2.1679	1.4488
H6	2.1463	3.2977	1.0103	1.8279	1.6126		1.4488	2.1679
H7	2.1463	3.2977	1.8279	1.0103	2.1679	1.4488		1.6126
H8	2.1463	3.2977	1.8279	1.0103	1.4488	2.1679	1.6126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.323	C1	C3	H5	117.539
C1	C3	H6	117.539	C1	C4	C3	57.323
C1	C4	H7	117.539	C1	C4	H8	117.539
O2	C1	C3	147.323	O2	C1	C4	147.323
C3	C1	C4	65.354	C3	C4	H7	85.664
C3	C4	H8	85.664	C4	C3	H5	85.664
C4	C3	H6	85.664	H5	C3	H6	105.895
H7	C4	H8	105.895

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/Def2TZVPP

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	0.307
2	O	-0.371
3	C	-0.089
4	C	-0.089
5	H	0.060
6	H	0.060
7	H	0.060
8	H	0.060

	x	y	z	Total
	0.000	0.000	-3.220	3.220
CHELPG
AIM
ESP

<r²>	66.410
(<r²>)^1/2	8.149

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)