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	hartrees
Energy at 0K	-191.810068
Energy at 298.15K	-191.814183
HF Energy	-191.810068
Nuclear repulsion energy	108.636341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3006	0.77
2	A₁	1977	1891	295.67
3	A₁	1456	1393	4.75
4	A₁	1079	1032	0.55
5	A₁	1036	991	31.56
6	A₁	746	714	4.79
7	A₂	3220	3081	0.00
8	A₂	1177	1126	0.00
9	A₂	640	612	0.00
10	B₁	3233	3093	2.73
11	B₁	1114	1066	0.62
12	B₁	713	682	1.93
13	B₁	319	305	4.73
14	B₂	3142	3006	2.82
15	B₂	1437	1374	5.45
16	B₂	1083	1036	21.32
17	B₂	973	931	116.20
18	B₂	510	487	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.586
C3	0.000	0.782	-0.861
C4	0.000	-0.782	-0.861
H5	0.914	1.289	-1.165
H6	-0.914	1.289	-1.165
H7	-0.914	-1.289	-1.165
H8	0.914	-1.289	-1.165

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2010	1.4708	1.4708	2.2135	2.2135	2.2135	2.2135
O2	1.2010		2.5685	2.5685	3.1724	3.1724	3.1724	3.1724
C3	1.4708	2.5685		1.5640	1.0889	1.0889	2.2844	2.2844
C4	1.4708	2.5685	1.5640		2.2844	2.2844	1.0889	1.0889
H5	2.2135	3.1724	1.0889	2.2844		1.8288	3.1611	2.5784
H6	2.2135	3.1724	1.0889	2.2844	1.8288		2.5784	3.1611
H7	2.2135	3.1724	2.2844	1.0889	3.1611	2.5784		1.8288
H8	2.2135	3.1724	2.2844	1.0889	2.5784	3.1611	1.8288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.880	C1	C3	H5	118.953
C1	C3	H6	118.953	C1	C4	C3	57.880
C1	C4	H7	118.953	C1	C4	H8	118.953
O2	C1	C3	147.880	O2	C1	C4	147.880
C3	C1	C4	64.239	C3	C4	H7	117.761
C3	C4	H8	117.761	C4	C3	H5	117.761
C4	C3	H6	117.761	H5	C3	H6	114.219
H7	C4	H8	114.219

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3PW91/6-31G*

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	0.425
2	O	-0.402
3	C	-0.434
4	C	-0.434
5	H	0.211
6	H	0.211
7	H	0.211
8	H	0.211

	x	y	z	Total
	0.000	0.000	-2.809	2.809
CHELPG
AIM
ESP	0.020	0.000	-2.819	2.819

<r²>	67.402
(<r²>)^1/2	8.210

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)