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	hartrees
Energy at 0K	-191.759177
Energy at 298.15K	-191.763221
HF Energy	-191.759177
Nuclear repulsion energy	106.694339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	3038	0.23
2	A₁	1792	1778	219.60
3	A₁	1432	1421	6.23
4	A₁	1033	1025	36.80
5	A₁	1000	993	2.92
6	A₁	673	668	2.82
7	A₂	3137	3113	0.00
8	A₂	1144	1136	0.00
9	A₂	691	686	0.00
10	B₁	3151	3127	8.67
11	B₁	1085	1076	0.31
12	B₁	708	703	2.40
13	B₁	302	299	3.45
14	B₂	3060	3036	3.36
15	B₂	1426	1416	5.97
16	B₂	1065	1057	1.75
17	B₂	960	953	142.41
18	B₂	477	473	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.619
C3	0.000	0.799	-0.876
C4	0.000	-0.799	-0.876
H5	0.917	1.312	-1.184
H6	-0.917	1.312	-1.184
H7	-0.917	-1.312	-1.184
H8	0.917	-1.312	-1.184

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2370	1.4907	1.4907	2.2396	2.2396	2.2396	2.2396
O2	1.2370		2.6203	2.6203	3.2281	3.2281	3.2281	3.2281
C3	1.4907	2.6203		1.5983	1.0950	1.0950	2.3224	2.3224
C4	1.4907	2.6203	1.5983		2.3224	2.3224	1.0950	1.0950
H5	2.2396	3.2281	1.0950	2.3224		1.8343	3.2018	2.6243
H6	2.2396	3.2281	1.0950	2.3224	1.8343		2.6243	3.2018
H7	2.2396	3.2281	2.3224	1.0950	3.2018	2.6243		1.8343
H8	2.2396	3.2281	2.3224	1.0950	2.6243	3.2018	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.583	C1	C3	H5	119.235
C1	C3	H6	119.235	C1	C4	C3	57.583
C1	C4	H7	119.235	C1	C4	H8	119.235
O2	C1	C3	147.583	O2	C1	C4	147.583
C3	C1	C4	64.833	C3	C4	H7	117.938
C3	C4	H8	117.938	C4	C3	H5	117.938
C4	C3	H6	117.938	H5	C3	H6	113.768
H7	C4	H8	113.768

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/6-31G

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	0.248
2	O	-0.328
3	C	-0.285
4	C	-0.285
5	H	0.162
6	H	0.162
7	H	0.162
8	H	0.162

	x	y	z	Total
	0.000	0.000	-2.897	2.897
CHELPG
AIM
ESP

<r²>	69.671
(<r²>)^1/2	8.347

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)