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	hartrees
Energy at 0K	-191.823277
Energy at 298.15K	-191.827372
HF Energy	-191.823277
Nuclear repulsion energy	108.658680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3011	1.42
2	A₁	1957	1879	357.34
3	A₁	1436	1379	5.23
4	A₁	1072	1029	2.19
5	A₁	1021	980	32.10
6	A₁	737	708	4.92
7	A₂	3219	3091	0.00
8	A₂	1162	1116	0.00
9	A₂	637	611	0.00
10	B₁	3231	3102	1.08
11	B₁	1105	1061	0.40
12	B₁	706	678	1.91
13	B₁	308	295	5.30
14	B₂	3136	3011	2.40
15	B₂	1415	1358	7.58
16	B₂	1075	1032	18.25
17	B₂	970	931	108.35
18	B₂	504	484	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.584
C3	0.000	0.784	-0.859
C4	0.000	-0.784	-0.859
H5	0.915	1.289	-1.162
H6	-0.915	1.289	-1.162
H7	-0.915	-1.289	-1.162
H8	0.915	-1.289	-1.162

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2025	1.4680	1.4680	2.2098	2.2098	2.2098	2.2098
O2	1.2025		2.5663	2.5663	3.1690	3.1690	3.1690	3.1690
C3	1.4680	2.5663		1.5681	1.0883	1.0883	2.2865	2.2865
C4	1.4680	2.5663	1.5681		2.2865	2.2865	1.0883	1.0883
H5	2.2098	3.1690	1.0883	2.2865		1.8301	3.1621	2.5786
H6	2.2098	3.1690	1.0883	2.2865	1.8301		2.5786	3.1621
H7	2.2098	3.1690	2.2865	1.0883	3.1621	2.5786		1.8301
H8	2.2098	3.1690	2.2865	1.0883	2.5786	3.1621	1.8301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.718	C1	C3	H5	118.896
C1	C3	H6	118.896	C1	C4	C3	57.718
C1	C4	H7	118.896	C1	C4	H8	118.896
O2	C1	C3	147.718	O2	C1	C4	147.718
C3	C1	C4	64.565	C3	C4	H7	117.663
C3	C4	H8	117.663	C4	C3	H5	117.663
C4	C3	H6	117.663	H5	C3	H6	114.459
H7	C4	H8	114.459

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3PW91/6-31+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	0.132
2	O	-0.432
3	C	-0.237
4	C	-0.237
5	H	0.194
6	H	0.194
7	H	0.194
8	H	0.194

	x	y	z	Total
	0.000	0.000	-3.094	3.094
CHELPG
AIM
ESP

<r²>	67.747
(<r²>)^1/2	8.231

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)