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	hartrees
Energy at 0K	-191.777078
Energy at 298.15K	-191.781066
HF Energy	-191.777078
Nuclear repulsion energy	108.098411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	3014	0.30
2	A₁	1878	1845	345.95
3	A₁	1407	1383	4.68
4	A₁	1035	1017	4.51
5	A₁	988	971	29.75
6	A₁	715	703	3.44
7	A₂	3148	3094	0.00
8	A₂	1140	1121	0.00
9	A₂	618	607	0.00
10	B₁	3161	3106	4.65
11	B₁	1078	1060	0.17
12	B₁	693	681	1.74
13	B₁	278	273	4.70
14	B₂	3068	3015	6.91
15	B₂	1391	1367	5.38
16	B₂	1040	1022	18.09
17	B₂	935	919	101.78
18	B₂	488	479	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.594
C3	0.000	0.788	-0.864
C4	0.000	-0.788	-0.864
H5	0.918	1.295	-1.169
H6	-0.918	1.295	-1.169
H7	-0.918	-1.295	-1.169
H8	0.918	-1.295	-1.169

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2118	1.4740	1.4740	2.2191	2.2191	2.2191	2.2191
O2	1.2118		2.5809	2.5809	3.1861	3.1861	3.1861	3.1861
C3	1.4740	2.5809		1.5755	1.0922	1.0922	2.2966	2.2966
C4	1.4740	2.5809	1.5755		2.2966	2.2966	1.0922	1.0922
H5	2.2191	3.1861	1.0922	2.2966		1.8356	3.1752	2.5908
H6	2.2191	3.1861	1.0922	2.2966	1.8356		2.5908	3.1752
H7	2.2191	3.1861	2.2966	1.0922	3.1752	2.5908		1.8356
H8	2.2191	3.1861	2.2966	1.0922	2.5908	3.1752	1.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.338	C1	C3	H5	117.558
C1	C3	H6	117.558	C1	C4	C3	57.338
C1	C4	H7	117.558	C1	C4	H8	117.558
O2	C1	C3	147.338	O2	C1	C4	147.338
C3	C1	C4	65.325	C3	C4	H7	85.648
C3	C4	H8	85.648	C4	C3	H5	85.648
C4	C3	H6	85.648	H5	C3	H6	105.833
H7	C4	H8	105.833

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B97D3/6-31+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	0.120
2	O	-0.415
3	C	-0.219
4	C	-0.219
5	H	0.183
6	H	0.183
7	H	0.183
8	H	0.183

	x	y	z	Total
	0.000	0.000	-3.033	3.033
CHELPG
AIM
ESP

<r²>	68.396
(<r²>)^1/2	8.270

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)